| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.7 | Very low | 44.2 | Very low | 247 Ų | 247 | 166.4 Ų | 166.4 | 100% | 1.217 | 88% | 0.876 | S | S | * | * | 0 | 115.4 | 0 | -72.8 | 175.6 | 172.9 | 0 | 0 | 106.8 | |||||
| 2 | E | 38.5 | Very low | 44.8 | Very low | 189 Ų | 189 | 159.6 Ų | 159.6 | 88% | 0.883 | 85% | 0.852 | S | S | * | * | trans | -82.9 | 148.2 | 177.1 | -67 | 168.8 | 110.6 | 0 | 0 | 110.1 | ||||
| 3 | Y | 35.6 | Very low | 45.3 | Very low | 241 Ų | 241 | 156.3 Ų | 156.3 | 95% | 0.945 | 85% | 0.85 | S | S | * | * | trans | -99.8 | 99.3 | 177.8 | -132.8 | -88.1 | 0 | 0 | 0 | 108.7 | ||||
| 4 | T | 44.5 | Very low | 45.7 | Very low | 129 Ų | 129 | 161.8 Ų | 161.8 | 79% | 0.791 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 133.8 | 177.9 | 50.3 | 0 | 0 | 0 | 0 | 110.5 | ||
| 5 | S | 42.8 | Very low | 46.1 | Very low | 119 Ų | 119 | 154.7 Ų | 154.7 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 133.9 | 178 | 47.9 | 0 | 0 | 0 | 0 | 111.2 | ||
| 6 | S | 44.8 | Very low | 46.4 | Very low | 113 Ų | 113 | 152.2 Ų | 152.2 | 79% | 0.79 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 142.5 | 179.3 | 46.3 | 0 | 0 | 0 | 0 | 112.1 | ||
| 7 | P | 46.3 | Very low | 46.6 | Very low | 125 Ų | 125 | 147.5 Ų | 147.5 | 81% | 0.812 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 142.5 | -179.2 | 29.6 | -34.6 | 0 | 0 | 0 | 111.7 | ||
| 8 | K | 51 | Low | 46.9 | Very low | 194 Ų | 194 | 149.9 Ų | 149.9 | 84% | 0.843 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 143 | 171.7 | -67 | -179.8 | -179.2 | 177.5 | 0 | 110.3 | Q10 | K8-Q10 PolarHBondContact O-N 2.64Š|
| 9 | P | 43.4 | Very low | 46.8 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 131.8 | 178.7 | 27.5 | -34.4 | 0 | 0 | 0 | 111.2 | ||
| 10 | Q | 52.3 | Low | 46.8 | Very low | 196 Ų | 196 | 144.4 Ų | 144.4 | 92% | 0.916 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 133.6 | 169 | -71.6 | -174.1 | -17.6 | 0 | 0 | 110.1 | K8 | K8-Q10 PolarHBondContact O-N 2.64Š|
| 11 | L | 45.7 | Very low | 46.9 | Very low | 154 Ų | 154 | 141.4 Ų | 141.4 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 151.8 | 173.1 | -71.8 | 169 | 0 | 0 | 0 | 110.8 | ||
| 12 | S | 52.1 | Low | 47.4 | Very low | 85 Ų | 85 | 132.3 Ų | 132.3 | 59% | 0.594 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 142.3 | -179.1 | 177.5 | 0 | 0 | 0 | 0 | 112.4 | R14 A15 | S12-R14 PolarHBondContact O-N 3.31Å; S12-A15 WeakPolarHBondContact O-CB 3.24Å; S12-A15 PolarHBondContact O-N 2.75Å |
| 13 | S | 51 | Low | 47.9 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -55.7 | -20.7 | -179.9 | 53.7 | 0 | 0 | 0 | 0 | 114.2 | A15 | S13-A15 VanDerWaalsContact C-N 3.27Å; S13-A15 PolarHBondContact O-N 3.09Å |
| 14 | R | 51.1 | Low | 48.5 | Very low | 233 Ų | 233 | 125.2 Ų | 125.2 | 88% | 0.879 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -76.2 | -6.8 | 176.5 | -148 | 168.3 | -172 | 146.4 | 1.6 | 114.2 | S12 | S12-R14 PolarHBondContact O-N 3.31Š|
| 15 | A | 51 | Low | 48.6 | Very low | 55 Ų | 55 | 124.2 Ų | 124.2 | 46% | 0.455 | 71% | 0.714 | S | S | . | * | G | 310 helix | trans | -89.4 | -20.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | S12 S13 A17 | S12-A15 WeakPolarHBondContact O-CB 3.24Å; S12-A15 PolarHBondContact O-N 2.75Å; S13-A15 VanDerWaalsContact C-N 3.27Å; S13-A15 PolarHBondContact O-N 3.09Å; A15-A17 PolarHBondContact O-N 2.95Å |
| 16 | N | 51.4 | Low | 48.9 | Very low | 115 Ų | 115 | 123.5 Ų | 123.5 | 62% | 0.615 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -74.9 | -4.5 | -173.6 | -85.2 | 0.6 | 0 | 0 | 0 | 115.1 | F18 S19 | N16-F18 PolarHBondContact O-N 2.56Å; N16-F18 VanDerWaalsContact O-N 3.14Å; N16-S19 PolarHBondContact O-N 2.65Å |
| 17 | A | 50.1 | Low | 48.7 | Very low | 73 Ų | 73 | 121 Ų | 121 | 60% | 0.603 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -68.4 | -9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | A15 | A15-A17 PolarHBondContact O-N 2.95Š|
| 18 | F | 51.8 | Low | 48.1 | Very low | 191 Ų | 191 | 125.4 Ų | 125.4 | 84% | 0.838 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -121.1 | 13.5 | -177.7 | -67 | -78 | 0 | 0 | 0 | 114.2 | N16 | N16-F18 PolarHBondContact O-N 2.56Å; N16-F18 VanDerWaalsContact O-N 3.14Å |
| 19 | S | 46 | Very low | 47.3 | Very low | 58 Ų | 58 | 121.8 Ų | 121.8 | 41% | 0.406 | 71% | 0.707 | S | S | . | * | trans | -77.1 | 134.5 | 175.7 | -64.2 | 0 | 0 | 0 | 0 | 111.5 | N16 A21 A22 | N16-S19 PolarHBondContact O-N 2.65Å; S19-A21 PolarHBondContact O-N 2.81Å; S19-A21 VanDerWaalsContact O-N 3.07Å; S19-A22 WeakPolarHBondContact O-CB 3.33Å; S19-A22 PolarHBondContact O-N 2.86Å | ||
| 20 | I | 45.7 | Very low | 46.8 | Very low | 131 Ų | 131 | 121 Ų | 121 | 67% | 0.672 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -54.2 | -33.8 | -178 | -64.9 | 175.9 | 0 | 0 | 0 | 112.6 | A22 L23 M24 | I20-A22 PolarHBondContact O-N 3.4Å; I20-L23 PolarHBondContact O-N 3.32Å; I20-L23 VanDerWaalsContact O-N 3.15Å; I20-M24 HydrophobicContact CG2-CG 4.32Å; I20-M24 HydrophobicContact CG2-SD 4.05Å; I20-M24 PolarHBondContact O-N 3.37Å |
| 21 | A | 49.3 | Very low | 45.9 | Very low | 81 Ų | 81 | 120 Ų | 120 | 67% | 0.669 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -58.7 | -29.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | S19 | S19-A21 PolarHBondContact O-N 2.81Å; S19-A21 VanDerWaalsContact O-N 3.07Å |
| 22 | A | 51.7 | Low | 45.3 | Very low | 56 Ų | 56 | 118.4 Ų | 118.4 | 46% | 0.463 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -73.8 | -40.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S19 I20 M24 S25 | S19-A22 WeakPolarHBondContact O-CB 3.33Å; S19-A22 PolarHBondContact O-N 2.86Å; I20-A22 PolarHBondContact O-N 3.4Å; A22-M24 VanDerWaalsContact C-N 3.28Å; A22-M24 PolarHBondContact O-N 2.8Å; A22-S25 PolarHBondContact O-N 3.17Å |
| 23 | L | 48.9 | Very low | 44.4 | Very low | 131 Ų | 131 | 122.2 Ų | 122.2 | 69% | 0.686 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -67.2 | -25.7 | 177.4 | -77.3 | 162 | 0 | 0 | 0 | 113.3 | I20 | I20-L23 PolarHBondContact O-N 3.32Å; I20-L23 VanDerWaalsContact O-N 3.15Å |
| 24 | M | 46.7 | Very low | 43.4 | Very low | 151 Ų | 151 | 124.2 Ų | 124.2 | 74% | 0.744 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -9.1 | 178.7 | -68.8 | -177 | 68.6 | 0 | 0 | 114.5 | I20 A22 | I20-M24 HydrophobicContact CG2-CG 4.32Å; I20-M24 HydrophobicContact CG2-SD 4.05Å; I20-M24 PolarHBondContact O-N 3.37Å; A22-M24 VanDerWaalsContact C-N 3.28Å; A22-M24 PolarHBondContact O-N 2.8Å |
| 25 | S | 48.4 | Very low | 42.4 | Very low | 107 Ų | 107 | 117.4 Ų | 117.4 | 75% | 0.748 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -31.2 | -178.2 | -162.7 | 0 | 0 | 0 | 0 | 112.8 | A22 G27 | A22-S25 PolarHBondContact O-N 3.17Å; S25-G27 PolarHBondContact O-N 3.42Å; S25-G27 VanDerWaalsContact O-N 3.11Å |
| 26 | S | 47.3 | Very low | 41.6 | Very low | 104 Ų | 104 | 124.1 Ų | 124.1 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -86.7 | 65.8 | -179.1 | 56.4 | 0 | 0 | 0 | 0 | 112.4 | ||
| 27 | G | 41 | Very low | 40.8 | Very low | 61 Ų | 61 | 126.3 Ų | 126.3 | 63% | 0.629 | 71% | 0.714 | S | S | * | * | trans | -172.6 | 63 | -174.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | S25 | S25-G27 PolarHBondContact O-N 3.42Å; S25-G27 VanDerWaalsContact O-N 3.11Å | ||
| 28 | K | 33.4 | Very low | 39.9 | Very low | 217 Ų | 217 | 128.4 Ų | 128.4 | 94% | 0.943 | 72% | 0.715 | S | S | * | * | trans | -159.7 | 153.3 | 153.1 | -116.3 | 164 | -173.2 | 176.3 | 0 | 112.5 | ||||
| 29 | S | 34.5 | Very low | 38.8 | Very low | 119 Ų | 119 | 125.2 Ų | 125.2 | 83% | 0.832 | 71% | 0.711 | S | S | * | * | trans | -145.8 | 160 | -166.8 | 56.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 30 | S | 33.2 | Very low | 38.2 | Very low | 107 Ų | 107 | 130.1 Ų | 130.1 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | trans | -165.2 | 111.6 | 167 | 49.8 | 0 | 0 | 0 | 0 | 108 | ||||
| 31 | K | 33.2 | Very low | 37.5 | Very low | 174 Ų | 174 | 133 Ų | 133 | 76% | 0.757 | 74% | 0.739 | S | S | * | * | 77.1 | 143.6 | 101.2 | -90.7 | 179.2 | 148.6 | -75.8 | 0 | 113.9 | |||||
| 32 | D | 32.7 | Very low | 37.1 | Very low | 120 Ų | 120 | 134.6 Ų | 134.6 | 64% | 0.642 | 74% | 0.742 | S | S | * | * | cis | -153.8 | -175.7 | 19.4 | -120.6 | -39.1 | 0 | 0 | 0 | 113.6 | ||||
| 33 | K | 33 | Very low | 35.9 | Very low | 165 Ų | 165 | 140.4 Ų | 140.4 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | trans | 93.7 | 115.9 | 175.6 | -62.1 | -169.4 | 159.2 | -77.5 | 0 | 116.1 | ||||
| 34 | E | 30.1 | Very low | 35 | Very low | 159 Ų | 159 | 142.8 Ų | 142.8 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | 78.1 | 133 | 71.6 | -73.3 | 173.2 | 145.9 | 0 | 0 | 113 | |||||
| 35 | A | 31.5 | Very low | 34.8 | Very low | 90 Ų | 90 | 140.7 Ų | 140.7 | 74% | 0.744 | 77% | 0.77 | S | S | * | * | cis | -163.6 | -166 | -8.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 36 | E | 33.7 | Very low | 33.8 | Very low | 196 Ų | 196 | 144.9 Ų | 144.9 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | trans | 77 | -177.8 | 169.5 | -59.3 | -165.3 | 146.4 | 0 | 0 | 119.4 | ||||
| 37 | E | 34.8 | Very low | 32.9 | Very low | 162 Ų | 162 | 147.9 Ų | 147.9 | 76% | 0.757 | 78% | 0.78 | S | S | * | * | -141.8 | 168.5 | -118.5 | -147.6 | -174.2 | 129.5 | 0 | 0 | 116.5 | |||||
| 38 | N | 30.4 | Very low | 32.1 | Very low | 117 Ų | 117 | 153.7 Ų | 153.7 | 63% | 0.626 | 79% | 0.788 | S | S | * | * | trans | 73.7 | 93.9 | 157.3 | -74.3 | -49.2 | 0 | 0 | 0 | 123.6 | ||||
| 39 | T | 30.3 | Very low | 31.9 | Very low | 123 Ų | 123 | 149.1 Ų | 149.1 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | 37.3 | 142.2 | 110.8 | -27.7 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 40 | I | 33.2 | Very low | 31.6 | Very low | 162 Ų | 162 | 151.6 Ų | 151.6 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | trans | 110.5 | 154.7 | 158.9 | -56.1 | -174.5 | 0 | 0 | 0 | 115.5 | ||||
| 41 | K | 30.1 | Very low | 31.4 | Very low | 192 Ų | 192 | 155.3 Ų | 155.3 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | -113.5 | -158.7 | -158.1 | -53.4 | 175.9 | -176.3 | 175.8 | 0 | 112.1 | ||||
| 42 | P | 40.4 | Very low | 31.1 | Very low | 114 Ų | 114 | 153.1 Ų | 153.1 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | -126.1 | 160.2 | -91.5 | 39.5 | -22.9 | 0 | 0 | 0 | 113.9 | |||||
| 43 | L | 27.5 | Very low | 30.7 | Very low | 178 Ų | 178 | 153.3 Ų | 153.3 | 93% | 0.932 | 80% | 0.797 | S | S | * | * | trans | -142.1 | 143.6 | 166.1 | -75.8 | 176.9 | 0 | 0 | 0 | 112.5 | ||||
| 44 | E | 29.5 | Very low | 30.2 | Very low | 180 Ų | 180 | 150.4 Ų | 150.4 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | trans | -105.3 | -164.4 | 168.4 | -67.9 | -108.2 | 154.7 | 0 | 0 | 108.6 | ||||
| 45 | P | 42.7 | Very low | 30 | Very low | 108 Ų | 108 | 150.8 Ų | 150.8 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | -129.9 | 134.5 | -90.8 | 37.4 | -20 | 0 | 0 | 0 | 113.2 | |||||
| 46 | E | 28.3 | Very low | 29.9 | Very low | 195 Ų | 195 | 154.3 Ų | 154.3 | 91% | 0.911 | 80% | 0.804 | S | S | * | * | trans | -127 | 163.1 | 172 | -76 | -141.2 | 134.1 | 0 | 0 | 115.1 | ||||
| 47 | Q | 26.5 | Very low | 29.7 | Very low | 166 Ų | 166 | 154.4 Ų | 154.4 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -68.3 | 150 | -160.5 | -57.6 | 163.6 | -7 | 0 | 0 | 113.2 | ||||
| 48 | F | 25.8 | Very low | 29.4 | Very low | 184 Ų | 184 | 150.8 Ų | 150.8 | 81% | 0.807 | 80% | 0.802 | S | S | * | * | trans | -138.6 | 130 | 133.3 | -138.8 | -99 | 0 | 0 | 0 | 111.1 | E50 | F48-E50 HydrophobicContact CD1-CB 4.42Å; F48-E50 HydrophobicContact CE1-CB 4.44Å | ||
| 49 | V | 28.3 | Very low | 29.3 | Very low | 120 Ų | 120 | 153.6 Ų | 153.6 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | -113.1 | 121.9 | 172.6 | 171.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 50 | E | 28.7 | Very low | 29.3 | Very low | 171 Ų | 171 | 151.4 Ų | 151.4 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | trans | -141.4 | 154.5 | 164.1 | -153.3 | 154.5 | -141.2 | 0 | 0 | 112.4 | F48 | F48-E50 HydrophobicContact CD1-CB 4.42Å; F48-E50 HydrophobicContact CE1-CB 4.44Å | ||
| 51 | K | 28.7 | Very low | 29 | Very low | 185 Ų | 185 | 150.9 Ų | 150.9 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -111.6 | 141.9 | -169.4 | -59 | 166.6 | -177.3 | 168.2 | 0 | 109.2 | ||||
| 52 | S | 26.4 | Very low | 29 | Very low | 129 Ų | 129 | 149.9 Ų | 149.9 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | -119 | 122.8 | 162.7 | -63.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 53 | S | 25.5 | Very low | 28.4 | Very low | 124 Ų | 124 | 149.8 Ų | 149.8 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | trans | -92.9 | 164.2 | -176.1 | -160.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 54 | C | 22.6 | Very low | 28.5 | Very low | 103 Ų | 103 | 146.8 Ų | 146.8 | 70% | 0.696 | 81% | 0.808 | S | S | * | * | trans | -64.5 | 148.7 | 172.5 | -175.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 55 | N | 25.4 | Very low | 28.8 | Very low | 167 Ų | 167 | 146.1 Ų | 146.1 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | trans | -143.8 | 153.1 | 147.1 | -137.2 | -7.3 | 0 | 0 | 0 | 110.6 | ||||
| 56 | Q | 29.8 | Very low | 28.2 | Very low | 165 Ų | 165 | 149.2 Ų | 149.2 | 77% | 0.771 | 82% | 0.821 | S | S | * | * | trans | -140.8 | 128.9 | -155.4 | -177.1 | -177.9 | 25.6 | 0 | 0 | 112.2 | ||||
| 57 | Q | 28.1 | Very low | 28.4 | Very low | 198 Ų | 198 | 142.8 Ų | 142.8 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | trans | -154.2 | 158.5 | 167.5 | -123.9 | 126.5 | 19.5 | 0 | 0 | 111.3 | ||||
| 58 | A | 28.8 | Very low | 28.8 | Very low | 86 Ų | 86 | 144.5 Ų | 144.5 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | trans | -153.1 | 163.3 | -164.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 59 | L | 29.5 | Very low | 29.3 | Very low | 175 Ų | 175 | 139.6 Ų | 139.6 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | 67.2 | 148.9 | 169.5 | -67.8 | 154.3 | 0 | 0 | 0 | 115.2 | ||||
| 60 | A | 30.2 | Very low | 29.3 | Very low | 78 Ų | 78 | 141.5 Ų | 141.5 | 65% | 0.645 | 82% | 0.821 | S | S | * | * | cis | -146.4 | 175.5 | 14.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 61 | D | 26.7 | Very low | 29.8 | Very low | 150 Ų | 150 | 143.7 Ų | 143.7 | 80% | 0.802 | 83% | 0.828 | S | S | * | * | trans | 34.7 | 130.6 | 153.9 | -61.5 | -23.9 | 0 | 0 | 0 | 122.8 | ||||
| 62 | L | 28.9 | Very low | 30.1 | Very low | 172 Ų | 172 | 140.1 Ų | 140.1 | 90% | 0.901 | 83% | 0.827 | S | S | * | * | -159.1 | 141.2 | 113.4 | -110.8 | 171.5 | 0 | 0 | 0 | 111.5 | |||||
| 63 | S | 29 | Very low | 30.7 | Very low | 112 Ų | 112 | 137.7 Ų | 137.7 | 78% | 0.783 | 82% | 0.822 | S | S | * | * | trans | -139.3 | 114.9 | 178.2 | 56.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 64 | S | 30.1 | Very low | 31.1 | Very low | 114 Ų | 114 | 136.8 Ų | 136.8 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | trans | -157.2 | 138.9 | 159.5 | 59.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 65 | L | 35.3 | Very low | 32 | Very low | 166 Ų | 166 | 135.5 Ų | 135.5 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | trans | -67.3 | 152.8 | 175.6 | -55.6 | 125.7 | 0 | 0 | 0 | 110.5 | ||||
| 66 | D | 30 | Very low | 32.6 | Very low | 174 Ų | 174 | 133.1 Ų | 133.1 | 93% | 0.93 | 81% | 0.807 | S | S | * | * | -153.9 | 161.1 | 105.7 | -127.7 | -28.8 | 0 | 0 | 0 | 111.4 | |||||
| 67 | G | 31.8 | Very low | 33.2 | Very low | 59 Ų | 59 | 129.6 Ų | 129.6 | 61% | 0.608 | 81% | 0.806 | S | S | * | * | trans | -123 | 142.7 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 68 | H | 35.9 | Very low | 34 | Very low | 203 Ų | 203 | 124.4 Ų | 124.4 | 94% | 0.94 | 79% | 0.787 | S | S | * | * | trans | -136.9 | 128.6 | 152.8 | -103.3 | -87.5 | 0 | 0 | 0 | 108.7 | ||||
| 69 | G | 34.8 | Very low | 34.6 | Very low | 81 Ų | 81 | 125.3 Ų | 125.3 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | -88.5 | 143.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 70 | D | 30.3 | Very low | 35.9 | Very low | 159 Ų | 159 | 120 Ų | 120 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | trans | -134 | 122.3 | 164.9 | -147.1 | -16.5 | 0 | 0 | 0 | 109 | S72 | D70-S72 PolarHBondContact O-N 3.05Š| ||
| 71 | F | 38.8 | Very low | 37.4 | Very low | 217 Ų | 217 | 124.1 Ų | 124.1 | 95% | 0.952 | 77% | 0.768 | S | S | * | * | trans | -88.9 | 56.7 | -160.6 | -143.8 | -86.9 | 0 | 0 | 0 | 112.1 | G73 | F71-G73 PolarHBondContact O-N 2.82Š| ||
| 72 | S | 34.4 | Very low | 39 | Very low | 110 Ų | 110 | 119.2 Ų | 119.2 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | -74.8 | 112.3 | 178 | -172 | 0 | 0 | 0 | 0 | 111.1 | D70 S74 | D70-S72 PolarHBondContact O-N 3.05Å; S72-S74 VanDerWaalsContact C-N 3.3Å; S72-S74 PolarHBondContact O-N 2.68Å | ||
| 73 | G | 39.3 | Very low | 40.9 | Very low | 78 Ų | 78 | 115.3 Ų | 115.3 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | -71.5 | 74.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | F71 A75 | F71-G73 PolarHBondContact O-N 2.82Å; G73-A75 PolarHBondContact O-N 2.67Å | ||
| 74 | S | 34.5 | Very low | 43 | Very low | 106 Ų | 106 | 110 Ų | 110 | 74% | 0.741 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -60 | 127.8 | 164.7 | -173.8 | 0 | 0 | 0 | 0 | 109.3 | S72 | S72-S74 VanDerWaalsContact C-N 3.3Å; S72-S74 PolarHBondContact O-N 2.68Å |
| 75 | A | 39.5 | Very low | 44.8 | Very low | 76 Ų | 76 | 108.1 Ų | 108.1 | 63% | 0.628 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 148.5 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | G73 A77 | G73-A75 PolarHBondContact O-N 2.67Å; A75-A77 PolarHBondContact O-N 2.9Å; A75-A77 VanDerWaalsContact O-N 3.16Å |
| 76 | P | 38.2 | Very low | 46.1 | Very low | 117 Ų | 117 | 104.7 Ų | 104.7 | 76% | 0.76 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -59 | 124.5 | 176.6 | 25.2 | -33.8 | 0 | 0 | 0 | 109.1 | V78 | P76-V78 PolarHBondContact O-N 3.34Š|
| 77 | A | 42.4 | Very low | 47.5 | Very low | 91 Ų | 91 | 102.8 Ų | 102.8 | 75% | 0.752 | 65% | 0.648 | S | S | * | * | trans | -60.4 | 109 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | A75 C79 | A75-A77 PolarHBondContact O-N 2.9Å; A75-A77 VanDerWaalsContact O-N 3.16Å; A77-C79 PolarHBondContact O-N 3.21Å | ||
| 78 | V | 44.8 | Very low | 48.7 | Very low | 88 Ų | 88 | 104.6 Ų | 104.6 | 53% | 0.533 | 65% | 0.649 | S | S | . | * | trans | -62.6 | 113.1 | -179.4 | 176.1 | 0 | 0 | 0 | 0 | 107.9 | P76 T80 P178 | P76-V78 PolarHBondContact O-N 3.34Å; V78-T80 HydrophobicContact CG1-CG2 4.25Å; V78-T80 PolarHBondContact O-N 3.03Å; V78-T80 PolarHBondContact O-OG1 2.53Å; V78-P178 HydrophobicContact CG1-CB 4.14Å; V78-P178 HydrophobicContact CG1-CG 3.91Å | ||
| 79 | C | 42.7 | Very low | 50 | Low | 105 Ų | 105 | 97.5 Ų | 97.5 | 71% | 0.709 | 63% | 0.631 | S | S | * | * | trans | -59.5 | 99.9 | 176.9 | -63.1 | 0 | 0 | 0 | 0 | 109.4 | A77 | A77-C79 PolarHBondContact O-N 3.21Š| ||
| 80 | T | 57.1 | Low | 51.5 | Low | 65 Ų | 65 | 101.8 Ų | 101.8 | 40% | 0.399 | 63% | 0.633 | S | S | . | * | trans | -100.5 | -0.9 | -176.9 | 33.4 | 0 | 0 | 0 | 0 | 112.2 | V78 P176 | V78-T80 HydrophobicContact CG1-CG2 4.25Å; V78-T80 PolarHBondContact O-N 3.03Å; V78-T80 PolarHBondContact O-OG1 2.53Å; T80-P176 HydrophobicContact CG2-CB 4.17Å; T80-P176 HydrophobicContact CG2-CG 3.99Å; T80-P176 WeakPolarHBondContact CG2-O 3.5Å | ||
| 81 | E | 60.1 | Low | 53.4 | Low | 164 Ų | 164 | 96.7 Ų | 96.7 | 77% | 0.766 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -67.6 | 145 | 164.2 | -64.9 | -160 | 132.8 | 0 | 0 | 110.9 | L83 | E81-L83 PolarHBondContact O-N 2.77Š|
| 82 | P | 61.2 | Low | 55.2 | Low | 46 Ų | 46 | 88.2 Ų | 88.2 | 30% | 0.299 | 58% | 0.576 | S | S | . | * | trans | -57 | 126.7 | 172.3 | -27.6 | 37.7 | 0 | 0 | 0 | 112.3 | I84 T86 V151 | P82-I84 VanDerWaalsContact CB-O 3.29Å; P82-I84 WeakPolarHBondContact CB-O 3.21Å; P82-I84 CarbonylContact O-C 3.52Å; P82-I84 PolarHBondContact O-N 3.39Å; P82-I84 VanDerWaalsContact O-N 3.08Å; P82-T86 HydrophobicContact CG-CG2 4.16Å; P82-V151 HydrophobicContact CB-CG1 4.26Å; P82-V151 HydrophobicContact CG-CG1 4.23Å | ||
| 83 | L | 68.8 | Low | 57.4 | Low | 90 Ų | 90 | 89.9 Ų | 89.9 | 47% | 0.471 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -59.5 | -21.9 | 179.3 | -67.5 | 168.6 | 0 | 0 | 0 | 113.2 | E81 A179 L181 | E81-L83 PolarHBondContact O-N 2.77Å; L83-A179 HydrophobicContact CD1-CB 4.4Å; L83-A179 HydrophobicContact CG-CB 4.24Å; L83-L181 HydrophobicContact CB-CD1 4.18Å; L83-L181 HydrophobicContact CB-CD2 4.21Å; L83-L181 HydrophobicContact CB-CG 4.17Å; L83-L181 HydrophobicContact CD1-CD1 4.44Å; L83-L181 HydrophobicContact CD1-CG 3.98Å |
| 84 | I | 74 | Confident | 59.4 | Low | 0 Ų | 0 | 89.3 Ų | 89.3 | 0% | 0 | 55% | 0.548 | C | S | . | . | S | Bend | trans | -114.6 | 124.1 | 164.4 | -65.8 | 172.3 | 0 | 0 | 0 | 107.6 | P82 L147 L181 R228 H230 L244 F249 | P82-I84 VanDerWaalsContact CB-O 3.29Å; P82-I84 WeakPolarHBondContact CB-O 3.21Å; P82-I84 CarbonylContact O-C 3.52Å; P82-I84 PolarHBondContact O-N 3.39Å; P82-I84 VanDerWaalsContact O-N 3.08Å; I84-L147 HydrophobicContact CD1-CD1 3.84Å; I84-L181 HydrophobicContact CD1-CD1 4.45Å; I84-L181 HydrophobicContact CD1-CD2 4.15Å; I84-L181 HydrophobicContact CG1-CD2 4.37Å; I84-R228 PolarHBondContact O-NH2 3.01Å; I84-H230 HydrophobicContact CD1-CB 4.04Å; I84-H230 WeakPolarHBondContact CD1-ND1 3.2Å; I84-L244 HydrophobicContact CD1-CD2 3.74Å; I84-L244 HydrophobicContact CG1-CD2 3.45Å; I84-L244 VanDerWaalsContact CG1-CD2 3.45Å; I84-F249 HydrophobicContact CG2-CD2 4.1Å; I84-F249 HydrophobicContact CG2-CE2 3.47Å; I84-F249 VanDerWaalsContact CG2-CE2 3.47Å; I84-F249 HydrophobicContact CG2-CZ 3.87Å |
| 85 | P | 66.9 | Low | 61.8 | Low | 76 Ų | 76 | 84.2 Ų | 84.2 | 49% | 0.494 | 51% | 0.513 | S | S | . | . | trans | -49.6 | 149 | 179.2 | -31 | 36.7 | 0 | 0 | 0 | 114.4 | R228 | P85-R228 PolarHBondContact O-NH1 2.83Š| ||
| 86 | T | 63.5 | Low | 64.1 | Low | 94 Ų | 94 | 83 Ų | 83 | 58% | 0.577 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -76.6 | -34.7 | 175.2 | 42.4 | 0 | 0 | 0 | 0 | 112.3 | P82 P88 | P82-T86 HydrophobicContact CG-CG2 4.16Å; T86-P88 WeakPolarHBondContact O-CD 3.37Å |
| 87 | N | 59 | Low | 66.6 | Low | 133 Ų | 133 | 83.3 Ų | 83.3 | 71% | 0.711 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -78.6 | 118.6 | 166.6 | -71.3 | -13.5 | 0 | 0 | 0 | 109.3 | G89 | N87-G89 PolarHBondContact O-N 3.1Š|
| 88 | P | 57 | Low | 69.1 | Low | 97 Ų | 97 | 79 Ų | 79 | 63% | 0.63 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 131 | 170.6 | 29 | -32.8 | 0 | 0 | 0 | 109.6 | T86 | T86-P88 WeakPolarHBondContact O-CD 3.37Š|
| 89 | G | 63 | Low | 71.5 | Confident | 55 Ų | 55 | 77.5 Ų | 77.5 | 57% | 0.567 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 156 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | N87 P91 | N87-G89 PolarHBondContact O-N 3.1Å; G89-P91 WeakPolarHBondContact O-CD 3.41Å; G89-P91 VanDerWaalsContact O-N 3.14Å |
| 90 | I | 65.4 | Low | 74.2 | Confident | 171 Ų | 171 | 73.4 Ų | 73.4 | 88% | 0.877 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -59.8 | 117.7 | 175.2 | -58.2 | 175.8 | 0 | 0 | 0 | 107.7 | ||
| 91 | P | 70.1 | Confident | 76.1 | Confident | 51 Ų | 51 | 72.9 Ų | 72.9 | 33% | 0.331 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 152.7 | 178.3 | -19.6 | 32.9 | 0 | 0 | 0 | 110.7 | G89 M95 | G89-P91 WeakPolarHBondContact O-CD 3.41Å; G89-P91 VanDerWaalsContact O-N 3.14Å; P91-M95 HydrophobicContact CB-CB 3.95Å |
| 92 | S | 77.5 | Confident | 77.9 | Confident | 39 Ų | 39 | 65.9 Ų | 65.9 | 27% | 0.273 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 155.2 | 166.2 | 62.3 | 0 | 0 | 0 | 0 | 110.6 | E94 M95 A96 E248 | S92-E94 PolarHBondContact O-N 3.38Å; S92-E94 VanDerWaalsContact O-N 3.09Å; S92-M95 CarbonylContact O-C 3.46Å; S92-M95 PolarHBondContact O-N 3.33Å; S92-M95 VanDerWaalsContact OG-CG 3.3Å; S92-M95 WeakPolarHBondContact OG-CG 3.13Å; S92-M95 PolarHBondContact OG-N 3.44Å; S92-A96 WeakPolarHBondContact O-CB 3.3Å; S92-A96 PolarHBondContact O-N 3.46Å; S92-E248 WeakPolarHBondContact CB-OE2 3.41Å; S92-E248 PolarHBondContact OG-OE2 2.91Å |
| 93 | E | 80.3 | Confident | 79.7 | Confident | 145 Ų | 145 | 66.5 Ų | 66.5 | 68% | 0.678 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -27.7 | -177.2 | -160 | -151.2 | 117.4 | 0 | 0 | 112.7 | K97 | E93-K97 WeakPolarHBondContact O-CD 3.11Å; E93-K97 WeakPolarHBondContact O-CE 3.37Å; E93-K97 WeakPolarHBondContact O-CG 3.21Å; E93-K97 VanDerWaalsContact OE1-CE 3.24Å; E93-K97 WeakPolarHBondContact OE1-CE 3.25Å; E93-K97 IonicContact OE1-NZ 2.64Å; E93-K97 PolarHBondContact OE1-NZ 2.96Å |
| 94 | E | 81 | Confident | 81 | Confident | 66 Ų | 66 | 65.5 Ų | 65.5 | 31% | 0.308 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -53.3 | 172.3 | -160.9 | -154.4 | 126.1 | 0 | 0 | 111.6 | S92 A96 K97 Y144 K233 | S92-E94 PolarHBondContact O-N 3.38Å; S92-E94 VanDerWaalsContact O-N 3.09Å; E94-A96 PolarHBondContact O-N 3.23Å; E94-A96 VanDerWaalsContact O-N 3.17Å; E94-K97 WeakPolarHBondContact O-CB 3.32Å; E94-K97 PolarHBondContact O-N 2.97Å; E94-Y144 PolarHBondContact OE1-OH 2.9Å; E94-K233 VanDerWaalsContact OE1-CD 3.32Å; E94-K233 WeakPolarHBondContact OE1-CD 3.5Å; E94-K233 IonicContact OE1-NZ 2.65Å; E94-K233 PolarHBondContact OE1-NZ 3.49Å; E94-K233 IonicContact OE2-NZ 3.84Å; E94-K233 PolarHBondContact OE2-NZ 3.12Å |
| 95 | M | 86.4 | Confident | 82.1 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -61.2 | -27.3 | 176.9 | -65.1 | -63.8 | -70.5 | 0 | 0 | 112.1 | P91 S92 K97 I98 Y144 I231 K233 E248 R250 | P91-M95 HydrophobicContact CB-CB 3.95Å; S92-M95 CarbonylContact O-C 3.46Å; S92-M95 PolarHBondContact O-N 3.33Å; S92-M95 VanDerWaalsContact OG-CG 3.3Å; S92-M95 WeakPolarHBondContact OG-CG 3.13Å; S92-M95 PolarHBondContact OG-N 3.44Å; M95-K97 PolarHBondContact O-N 3.47Å; M95-I98 HydrophobicContact CE-CD1 3.93Å; M95-I98 PolarHBondContact O-N 2.64Å; M95-I98 HydrophobicContact SD-CD1 3.51Å; M95-I98 VanDerWaalsContact SD-CD1 3.51Å; M95-Y144 HydrophobicContact SD-CE1 4.39Å; M95-I231 HydrophobicContact CE-CG2 4.03Å; M95-I231 WeakPolarHBondContact CE-O 3.27Å; M95-K233 HydrophobicContact SD-CB 3.78Å; M95-E248 WeakPolarHBondContact CE-O 3.48Å; M95-E248 HydrophobicContact CG-CB 4.05Å; M95-R250 HydrophobicContact CE-CB 3.88Å; M95-R250 WeakPolarHBondContact O-CD 3.23Å; M95-R250 PolarHBondContact O-NH1 3.45Å |
| 96 | A | 86.3 | Confident | 83.6 | Confident | 51 Ų | 51 | 71.6 Ų | 71.6 | 42% | 0.421 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -65.5 | -21.3 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | S92 E94 R250 | S92-A96 WeakPolarHBondContact O-CB 3.3Å; S92-A96 PolarHBondContact O-N 3.46Å; E94-A96 PolarHBondContact O-N 3.23Å; E94-A96 VanDerWaalsContact O-N 3.17Å; A96-R250 PolarHBondContact O-NH1 2.78Å |
| 97 | K | 90.9 | Very high | 85.2 | Confident | 123 Ų | 123 | 69 Ų | 69 | 54% | 0.535 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -84 | -21.3 | 176.4 | -66.1 | 157.7 | -169.1 | 170 | 0 | 113.3 | E93 E94 M95 S99 | E93-K97 WeakPolarHBondContact O-CD 3.11Å; E93-K97 WeakPolarHBondContact O-CE 3.37Å; E93-K97 WeakPolarHBondContact O-CG 3.21Å; E93-K97 VanDerWaalsContact OE1-CE 3.24Å; E93-K97 WeakPolarHBondContact OE1-CE 3.25Å; E93-K97 IonicContact OE1-NZ 2.64Å; E93-K97 PolarHBondContact OE1-NZ 2.96Å; E94-K97 WeakPolarHBondContact O-CB 3.32Å; E94-K97 PolarHBondContact O-N 2.97Å; M95-K97 PolarHBondContact O-N 3.47Å; K97-S99 PolarHBondContact O-N 2.86Å |
| 98 | I | 95.1 | Very high | 87.1 | Confident | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | trans | -69.2 | 118.7 | -179.2 | -54.3 | 173.5 | 0 | 0 | 0 | 110.8 | M95 F135 S136 G137 V138 Y144 I231 R250 F252 | M95-I98 HydrophobicContact CE-CD1 3.93Å; M95-I98 PolarHBondContact O-N 2.64Å; M95-I98 HydrophobicContact SD-CD1 3.51Å; M95-I98 VanDerWaalsContact SD-CD1 3.51Å; I98-F135 HydrophobicContact CG2-CD1 4.23Å; I98-S136 CarbonylContact C-O 3.51Å; I98-S136 WeakPolarHBondContact CA-O 3.36Å; I98-G137 WeakPolarHBondContact CG1-O 3.26Å; I98-V138 HydrophobicContact CB-CG1 4.46Å; I98-V138 HydrophobicContact CD1-CG1 4.11Å; I98-V138 HydrophobicContact CG1-CG1 4.01Å; I98-V138 HydrophobicContact CG2-CG1 3.7Å; I98-Y144 HydrophobicContact CD1-CE1 3.93Å; I98-I231 HydrophobicContact CD1-CG2 4.42Å; I98-I231 HydrophobicContact CG2-CD1 4.41Å; I98-I231 HydrophobicContact CG2-CG2 4.4Å; I98-R250 PolarHBondContact O-NE 3.02Å; I98-R250 PolarHBondContact O-NH1 3Å; I98-F252 HydrophobicContact CG2-CZ 4.04Å; I98-F252 WeakPolarHBondContact O-CZ 3.49Å | ||
| 99 | S | 96 | Very high | 89.1 | Confident | 56 Ų | 56 | 61.1 Ų | 61.1 | 39% | 0.392 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 160.4 | 170.5 | 95.7 | 0 | 0 | 0 | 0 | 111.7 | K97 F135 S136 | K97-S99 PolarHBondContact O-N 2.86Å; S99-F135 WeakPolarHBondContact O-CA 2.99Å; S99-S136 PolarHBondContact N-O 2.86Å; S99-S136 PolarHBondContact O-N 3.35Å; S99-S136 VanDerWaalsContact O-N 3.1Å; S99-S136 PolarHBondContact OG-OG 3.01Å |
| 100 | C | 97.8 | Very high | 90.8 | Very high | 18 Ų | 18 | 64 Ų | 64 | 12% | 0.122 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 124.5 | -178.5 | -169.5 | 0 | 0 | 0 | 0 | 109.7 | S134 F135 F252 F254 | C100-S134 CarbonylContact C-O 3.5Å; C100-S134 WeakPolarHBondContact CA-O 3.26Å; C100-F135 HydrophobicContact CB-CD1 3.94Å; C100-F135 HydrophobicContact CB-CE1 3.93Å; C100-F135 WeakPolarHBondContact SG-CE1 3.42Å; C100-F252 HydrophobicContact CB-CB 4.15Å; C100-F252 HydrophobicContact CB-CD1 3.44Å; C100-F252 VanDerWaalsContact CB-CD1 3.44Å; C100-F252 HydrophobicContact CB-CD2 3.63Å; C100-F252 HydrophobicContact CB-CE1 3.58Å; C100-F252 HydrophobicContact CB-CE2 3.77Å; C100-F252 HydrophobicContact CB-CG 3.45Å; C100-F252 VanDerWaalsContact CB-CG 3.45Å; C100-F252 HydrophobicContact CB-CZ 3.74Å; C100-F254 HydrophobicContact CB-CZ 4.34Å |
| 101 | S | 98.1 | Very high | 92.4 | Very high | 54 Ų | 54 | 55.8 Ų | 55.8 | 38% | 0.378 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 143.4 | 176.2 | 55.1 | 0 | 0 | 0 | 0 | 111.2 | E103 V133 S134 | S101-E103 PolarHBondContact OG-OE1 2.81Å; S101-V133 WeakPolarHBondContact O-CA 3.44Å; S101-V133 WeakPolarHBondContact O-CB 3.38Å; S101-S134 PolarHBondContact N-O 3.46Å; S101-S134 PolarHBondContact O-N 2.73Å; S101-S134 VanDerWaalsContact O-N 3.12Å; S101-S134 WeakPolarHBondContact OG-CB 3.46Å; S101-S134 PolarHBondContact OG-O 3.37Å |
| 102 | L | 98.6 | Very high | 93.7 | Very high | 17 Ų | 17 | 57.3 Ų | 57.3 | 9% | 0.089 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 120.2 | 168.9 | -179 | 68.6 | 0 | 0 | 0 | 109.5 | K105 W108 I131 V133 F254 E256 T257 | L102-K105 HydrophobicContact CD2-CG 4.33Å; L102-W108 HydrophobicContact CD2-CB 4.17Å; L102-W108 HydrophobicContact CD2-CG 3.96Å; L102-I131 HydrophobicContact CD1-CG2 4.38Å; L102-V133 HydrophobicContact CD1-CG1 4.48Å; L102-F254 HydrophobicContact CB-CD1 3.75Å; L102-F254 HydrophobicContact CB-CD2 4.35Å; L102-F254 HydrophobicContact CB-CE1 3.85Å; L102-F254 HydrophobicContact CB-CE2 4.44Å; L102-F254 HydrophobicContact CB-CG 4.01Å; L102-F254 HydrophobicContact CB-CZ 4.19Å; L102-F254 HydrophobicContact CD1-CD2 4.34Å; L102-F254 HydrophobicContact CD1-CG 4.49Å; L102-F254 HydrophobicContact CD2-CB 4.1Å; L102-F254 HydrophobicContact CD2-CG 4.3Å; L102-E256 HydrophobicContact CD2-CG 3.56Å; L102-T257 HydrophobicContact CD1-CG2 4.07Å; L102-T257 HydrophobicContact CD2-CG2 3.68Å |
| 103 | E | 98.1 | Very high | 94.7 | Very high | 59 Ų | 59 | 63.4 Ų | 63.4 | 28% | 0.276 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 146.4 | 177.5 | -60.5 | -55.7 | 139.9 | 0 | 0 | 111.3 | S101 K105 R132 S134 M198 | S101-E103 PolarHBondContact OG-OE1 2.81Å; E103-K105 VanDerWaalsContact C-N 3.26Å; E103-K105 PolarHBondContact O-N 3.12Å; E103-R132 HydrophobicContact CB-CB 3.79Å; E103-R132 WeakPolarHBondContact CB-O 3.47Å; E103-R132 HydrophobicContact CG-CB 4.25Å; E103-R132 PolarHBondContact N-O 2.7Å; E103-S134 VanDerWaalsContact CD-OG 3.32Å; E103-S134 VanDerWaalsContact OE1-CB 3.28Å; E103-S134 WeakPolarHBondContact OE1-CB 3.39Å; E103-S134 PolarHBondContact OE1-OG 3.24Å; E103-M198 HydrophobicContact CG-CB 4.13Å; E103-M198 HydrophobicContact CG-SD 4.47Å |
| 104 | T | 95.4 | Very high | 95.5 | Very high | 70 Ų | 70 | 59 Ų | 59 | 43% | 0.429 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 38 | -175.9 | 61.3 | 0 | 0 | 0 | 0 | 113.9 | E106 L107 W108 | T104-E106 PolarHBondContact O-N 3.39Å; T104-E106 VanDerWaalsContact O-N 3.17Å; T104-L107 WeakPolarHBondContact O-CB 3.45Å; T104-L107 PolarHBondContact O-N 3.1Å; T104-W108 PolarHBondContact O-N 3.17Å |
| 105 | K | 97.6 | Very high | 96.4 | Very high | 77 Ų | 77 | 57.1 Ų | 57.1 | 34% | 0.335 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -51.9 | -37.5 | -178.2 | -164.5 | -149 | -178.9 | -49 | 0 | 112.8 | L102 E103 L107 W108 D109 E256 | L102-K105 HydrophobicContact CD2-CG 4.33Å; E103-K105 VanDerWaalsContact C-N 3.26Å; E103-K105 PolarHBondContact O-N 3.12Å; K105-L107 PolarHBondContact O-N 2.93Å; K105-W108 CarbonylContact O-C 3.59Å; K105-W108 WeakPolarHBondContact O-CA 3.34Å; K105-W108 WeakPolarHBondContact O-CB 3.45Å; K105-W108 PolarHBondContact O-N 3.47Å; K105-D109 IonicContact NZ-OD1 3.31Å; K105-D109 PolarHBondContact NZ-OD1 2.89Å; K105-D109 IonicContact NZ-OD2 2.67Å; K105-D109 PolarHBondContact NZ-OD2 3.17Å; K105-D109 PolarHBondContact O-N 2.88Å; K105-E256 WeakPolarHBondContact CE-OE1 3.44Å; K105-E256 WeakPolarHBondContact CG-OE1 3.41Å; K105-E256 IonicContact NZ-OE1 3.37Å; K105-E256 PolarHBondContact NZ-OE1 2.67Å |
| 106 | E | 98.2 | Very high | 96.9 | Very high | 126 Ų | 126 | 57.3 Ų | 57.3 | 59% | 0.589 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -65.9 | -20.9 | -178.6 | -46.7 | 73.3 | -163.4 | 0 | 0 | 112.8 | T104 K110 | T104-E106 PolarHBondContact O-N 3.39Å; T104-E106 VanDerWaalsContact O-N 3.17Å; E106-K110 VanDerWaalsContact O-CD 3.27Å; E106-K110 WeakPolarHBondContact O-CD 3.24Å; E106-K110 WeakPolarHBondContact O-CE 3.36Å; E106-K110 VanDerWaalsContact O-CG 3.3Å; E106-K110 WeakPolarHBondContact O-CG 3.44Å |
| 107 | L | 98.3 | Very high | 97.5 | Very high | 41 Ų | 41 | 54.9 Ų | 54.9 | 22% | 0.215 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -84.4 | -37.8 | 171 | -177.8 | 61.1 | 0 | 0 | 0 | 111 | T104 K105 F111 F128 P129 | T104-L107 WeakPolarHBondContact O-CB 3.45Å; T104-L107 PolarHBondContact O-N 3.1Å; K105-L107 PolarHBondContact O-N 2.93Å; L107-F111 HydrophobicContact CD1-CD2 4.21Å; L107-F111 HydrophobicContact CD1-CE2 3.86Å; L107-F111 HydrophobicContact CG-CD2 4.25Å; L107-F111 HydrophobicContact CG-CE2 4.13Å; L107-F111 VanDerWaalsContact O-CD2 3.3Å; L107-F111 WeakPolarHBondContact O-CD2 3.5Å; L107-F111 PolarHBondContact O-N 2.61Å; L107-F128 HydrophobicContact CD2-CZ 4.2Å; L107-P129 HydrophobicContact CD2-CB 4.17Å; L107-P129 HydrophobicContact CD2-CG 4Å; L107-P129 HydrophobicContact CG-CG 3.9Å |
| 108 | W | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 0% | 0.004 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.6 | -45.1 | 173.4 | -80.6 | 103.3 | 0 | 0 | 0 | 111.9 | L102 T104 K105 K110 F111 H112 T116 M118 P129 T130 I131 E256 T257 | L102-W108 HydrophobicContact CD2-CB 4.17Å; L102-W108 HydrophobicContact CD2-CG 3.96Å; T104-W108 PolarHBondContact O-N 3.17Å; K105-W108 CarbonylContact O-C 3.59Å; K105-W108 WeakPolarHBondContact O-CA 3.34Å; K105-W108 WeakPolarHBondContact O-CB 3.45Å; K105-W108 PolarHBondContact O-N 3.47Å; W108-K110 VanDerWaalsContact C-N 3.32Å; W108-K110 PolarHBondContact O-N 2.98Å; W108-F111 CarbonylContact O-C 3.59Å; W108-F111 PolarHBondContact O-N 3.19Å; W108-H112 WeakPolarHBondContact O-CB 3.35Å; W108-H112 PolarHBondContact O-N 3.19Å; W108-T116 HydrophobicContact CZ3-CG2 4.39Å; W108-M118 HydrophobicContact CH2-CE 3.55Å; W108-M118 HydrophobicContact CZ3-CE 3.8Å; W108-P129 HydrophobicContact CD2-CB 4.18Å; W108-P129 HydrophobicContact CD2-CG 4.13Å; W108-P129 HydrophobicContact CE3-CG 4.43Å; W108-P129 HydrophobicContact CZ2-CB 3.85Å; W108-P129 HydrophobicContact CZ2-CG 4.44Å; W108-P129 WeakPolarHBondContact CZ2-O 3.35Å; W108-T130 PolarHBondContact NE1-O 2.85Å; W108-I131 HydrophobicContact CH2-CD1 4.48Å; W108-I131 HydrophobicContact CH2-CG1 3.9Å; W108-I131 HydrophobicContact CZ2-CD1 4.48Å; W108-I131 HydrophobicContact CZ2-CG1 3.49Å; W108-I131 VanDerWaalsContact CZ2-CG1 3.49Å; W108-E256 HydrophobicContact CB-CB 4.37Å; W108-E256 HydrophobicContact CB-CG 3.96Å; W108-T257 HydrophobicContact CD2-CG2 3.87Å; W108-T257 HydrophobicContact CE3-CG2 3.93Å; W108-T257 HydrophobicContact CG-CG2 4.37Å; W108-T257 HydrophobicContact CH2-CG2 4.35Å; W108-T257 HydrophobicContact CZ2-CG2 4.32Å; W108-T257 HydrophobicContact CZ3-CG2 4.16Å |
| 109 | D | 98.6 | Very high | 98.1 | Very high | 62 Ų | 62 | 50.4 Ų | 50.4 | 33% | 0.332 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.1 | -42.3 | 178.6 | -68.6 | -31.5 | 0 | 0 | 0 | 112 | K105 F111 H112 E113 E256 | K105-D109 IonicContact NZ-OD1 3.31Å; K105-D109 PolarHBondContact NZ-OD1 2.89Å; K105-D109 IonicContact NZ-OD2 2.67Å; K105-D109 PolarHBondContact NZ-OD2 3.17Å; K105-D109 PolarHBondContact O-N 2.88Å; D109-F111 VanDerWaalsContact C-N 3.33Å; D109-F111 PolarHBondContact O-N 3.37Å; D109-H112 WeakPolarHBondContact O-CB 3.26Å; D109-H112 PolarHBondContact O-N 3.02Å; D109-H112 VanDerWaalsContact O-N 3.15Å; D109-E113 PolarHBondContact O-N 3.14Å; D109-E256 WeakPolarHBondContact OD1-CB 3.28Å |
| 110 | K | 98.6 | Very high | 98.2 | Very high | 115 Ų | 115 | 47.8 Ų | 47.8 | 50% | 0.5 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.1 | -31.3 | 175.3 | -70 | 168.5 | -172.9 | 168.5 | 0 | 113.7 | E106 W108 L273 | E106-K110 VanDerWaalsContact O-CD 3.27Å; E106-K110 WeakPolarHBondContact O-CD 3.24Å; E106-K110 WeakPolarHBondContact O-CE 3.36Å; E106-K110 VanDerWaalsContact O-CG 3.3Å; E106-K110 WeakPolarHBondContact O-CG 3.44Å; W108-K110 VanDerWaalsContact C-N 3.32Å; W108-K110 PolarHBondContact O-N 2.98Å; K110-L273 HydrophobicContact CB-CD2 4Å |
| 111 | F | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -76.3 | -36.8 | 171.4 | -84.8 | -68.4 | 0 | 0 | 0 | 111.7 | L107 W108 D109 L114 G115 T116 F128 P129 I270 L273 K274 | L107-F111 HydrophobicContact CD1-CD2 4.21Å; L107-F111 HydrophobicContact CD1-CE2 3.86Å; L107-F111 HydrophobicContact CG-CD2 4.25Å; L107-F111 HydrophobicContact CG-CE2 4.13Å; L107-F111 VanDerWaalsContact O-CD2 3.3Å; L107-F111 WeakPolarHBondContact O-CD2 3.5Å; L107-F111 PolarHBondContact O-N 2.61Å; W108-F111 CarbonylContact O-C 3.59Å; W108-F111 PolarHBondContact O-N 3.19Å; D109-F111 VanDerWaalsContact C-N 3.33Å; D109-F111 PolarHBondContact O-N 3.37Å; F111-L114 PolarHBondContact O-N 2.75Å; F111-G115 CarbonylContact O-C 3.48Å; F111-G115 PolarHBondContact O-N 2.89Å; F111-T116 HydrophobicContact CB-CG2 4.11Å; F111-T116 WeakPolarHBondContact O-CA 3.37Å; F111-T116 PolarHBondContact O-N 2.87Å; F111-T116 PolarHBondContact O-OG1 2.78Å; F111-F128 HydrophobicContact CE2-CD1 4.29Å; F111-F128 AromaticContact CE2-CE1 3.88Å; F111-F128 HydrophobicContact CE2-CE1 3.88Å; F111-F128 HydrophobicContact CZ-CD1 4.22Å; F111-F128 AromaticContact CZ-CE1 3.98Å; F111-F128 HydrophobicContact CZ-CE1 3.98Å; F111-P129 HydrophobicContact CD2-CG 3.42Å; F111-P129 VanDerWaalsContact CD2-CG 3.42Å; F111-P129 HydrophobicContact CE2-CG 3.65Å; F111-P129 HydrophobicContact CG-CG 4.43Å; F111-I270 HydrophobicContact CD1-CD1 3.88Å; F111-I270 HydrophobicContact CD1-CG2 4.41Å; F111-I270 HydrophobicContact CE1-CG2 4.26Å; F111-L273 HydrophobicContact CD1-CD2 3.7Å; F111-L273 HydrophobicContact CD1-CG 4.29Å; F111-L273 HydrophobicContact CD2-CD2 4.04Å; F111-L273 HydrophobicContact CE1-CB 3.88Å; F111-L273 HydrophobicContact CE1-CD2 3.67Å; F111-L273 HydrophobicContact CE1-CG 3.72Å; F111-L273 HydrophobicContact CE2-CD2 4.02Å; F111-L273 HydrophobicContact CE2-CG 4Å; F111-L273 HydrophobicContact CG-CD2 3.88Å; F111-L273 HydrophobicContact CZ-CB 4.05Å; F111-L273 HydrophobicContact CZ-CD2 3.83Å; F111-L273 HydrophobicContact CZ-CG 3.56Å; F111-K274 HydrophobicContact CD1-CD 4.5Å; F111-K274 HydrophobicContact CE1-CD 3.54Å; F111-K274 HydrophobicContact CE1-CG 3.84Å; F111-K274 HydrophobicContact CZ-CD 3.68Å; F111-K274 HydrophobicContact CZ-CG 4.12Å |
| 112 | H | 98.4 | Very high | 98.2 | Very high | 83 Ų | 83 | 53.7 Ų | 53.7 | 38% | 0.384 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65 | -45.6 | -179.4 | -169 | 81.9 | 0 | 0 | 0 | 112 | W108 D109 L114 G115 T116 V255 E256 | W108-H112 WeakPolarHBondContact O-CB 3.35Å; W108-H112 PolarHBondContact O-N 3.19Å; D109-H112 WeakPolarHBondContact O-CB 3.26Å; D109-H112 PolarHBondContact O-N 3.02Å; D109-H112 VanDerWaalsContact O-N 3.15Å; H112-L114 VanDerWaalsContact C-N 3.26Å; H112-L114 PolarHBondContact O-N 3.3Å; H112-G115 WeakPolarHBondContact O-CA 3.39Å; H112-G115 PolarHBondContact O-N 2.99Å; H112-T116 PolarHBondContact N-OG1 3.36Å; H112-V255 PolarHBondContact CE1-O 3.35Å; H112-V255 PolarHBondContact ND1-O 3.14Å; H112-E256 HydrophobicContact CB-CB 4.35Å; H112-E256 WeakPolarHBondContact ND1-CA 3.07Å; H112-E256 PolarHBondContact ND1-O 3.19Å; H112-E256 VanDerWaalsContact ND1-O 3.11Å |
| 113 | E | 98.1 | Very high | 98.1 | Very high | 166 Ų | 166 | 56.7 Ų | 56.7 | 78% | 0.776 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -54.5 | -40 | 175.6 | -176 | 179.5 | -164.7 | 0 | 0 | 112.4 | D109 G115 | D109-E113 PolarHBondContact O-N 3.14Å; E113-G115 VanDerWaalsContact C-N 3.31Å |
| 114 | L | 97.7 | Very high | 98.1 | Very high | 54 Ų | 54 | 54.3 Ų | 54.3 | 28% | 0.283 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -1.9 | 177.4 | -64.4 | 177.7 | 0 | 0 | 0 | 114.1 | F111 H112 N267 L269 I270 L273 | F111-L114 PolarHBondContact O-N 2.75Å; H112-L114 VanDerWaalsContact C-N 3.26Å; H112-L114 PolarHBondContact O-N 3.3Å; L114-N267 PolarHBondContact O-ND2 2.96Å; L114-L269 HydrophobicContact CD1-CB 4.01Å; L114-L269 HydrophobicContact CD2-CB 4.06Å; L114-L269 HydrophobicContact CD2-CD1 3.93Å; L114-I270 HydrophobicContact CB-CD1 3.5Å; L114-I270 VanDerWaalsContact CB-CD1 3.5Å; L114-I270 HydrophobicContact CB-CG1 4.17Å; L114-I270 HydrophobicContact CD1-CD1 4.45Å; L114-L273 HydrophobicContact CD1-CD2 3.95Å |
| 115 | G | 97.9 | Very high | 98.3 | Very high | 26 Ų | 26 | 57.4 Ų | 57.4 | 27% | 0.268 | 28% | 0.283 | S | S | . | . | trans | 73.3 | 83.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F111 H112 E113 E117 | F111-G115 CarbonylContact O-C 3.48Å; F111-G115 PolarHBondContact O-N 2.89Å; H112-G115 WeakPolarHBondContact O-CA 3.39Å; H112-G115 PolarHBondContact O-N 2.99Å; E113-G115 VanDerWaalsContact C-N 3.31Å; G115-E117 PolarHBondContact O-N 3.47Å | ||
| 116 | T | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | trans | -46 | 128.6 | -174.4 | -49.1 | 0 | 0 | 0 | 0 | 113.2 | W108 F111 H112 M118 V258 F259 T260 | W108-T116 HydrophobicContact CZ3-CG2 4.39Å; F111-T116 HydrophobicContact CB-CG2 4.11Å; F111-T116 WeakPolarHBondContact O-CA 3.37Å; F111-T116 PolarHBondContact O-N 2.87Å; F111-T116 PolarHBondContact O-OG1 2.78Å; H112-T116 PolarHBondContact N-OG1 3.36Å; T116-M118 HydrophobicContact CG2-CE 4.1Å; T116-V258 WeakPolarHBondContact CB-O 3.49Å; T116-V258 PolarHBondContact OG1-O 3.1Å; T116-F259 HydrophobicContact CG2-CB 3.7Å; T116-F259 CarbonylContact O-C 3.58Å; T116-F259 WeakPolarHBondContact O-CA 3.09Å; T116-F259 WeakPolarHBondContact O-CB 3.48Å; T116-T260 PolarHBondContact O-N 3.21Å | ||
| 117 | E | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 143.4 | 170.4 | -56.2 | -180 | -165.5 | 0 | 0 | 111 | G115 W167 T260 V262 Y265 Q266 N267 I270 K274 | G115-E117 PolarHBondContact O-N 3.47Å; E117-W167 HydrophobicContact CG-CZ2 4.06Å; E117-T260 WeakPolarHBondContact CA-O 3.24Å; E117-V262 HydrophobicContact CB-CG2 3.98Å; E117-Y265 HydrophobicContact CB-CD1 3.94Å; E117-Y265 HydrophobicContact CB-CE1 4.27Å; E117-Y265 WeakPolarHBondContact OE2-CA 3.37Å; E117-Q266 PolarHBondContact OE1-N 2.8Å; E117-Q266 PolarHBondContact OE2-N 3.21Å; E117-N267 WeakPolarHBondContact OE1-CB 3.33Å; E117-N267 PolarHBondContact OE1-N 3.37Å; E117-I270 HydrophobicContact CB-CG2 4.1Å; E117-I270 HydrophobicContact CG-CG1 4.33Å; E117-I270 HydrophobicContact CG-CG2 4.4Å; E117-K274 WeakPolarHBondContact O-CE 3.33Å; E117-K274 PolarHBondContact O-NZ 3.41Å |
| 118 | M | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.02 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 128.6 | 172.7 | -65.3 | -68.4 | -174.6 | 0 | 0 | 110.8 | W108 T116 M127 F128 L206 F259 T260 V262 | W108-M118 HydrophobicContact CH2-CE 3.55Å; W108-M118 HydrophobicContact CZ3-CE 3.8Å; T116-M118 HydrophobicContact CG2-CE 4.1Å; M118-M127 HydrophobicContact CE-CB 4.21Å; M118-M127 HydrophobicContact SD-CB 4.16Å; M118-F128 WeakPolarHBondContact CE-O 3.14Å; M118-F128 VanDerWaalsContact SD-O 3.38Å; M118-L206 HydrophobicContact CB-CD1 3.92Å; M118-L206 HydrophobicContact CG-CD1 4.41Å; M118-F259 HydrophobicContact CB-CD2 3.48Å; M118-F259 VanDerWaalsContact CB-CD2 3.48Å; M118-F259 HydrophobicContact CB-CE2 3.72Å; M118-F259 HydrophobicContact CB-CG 4.14Å; M118-F259 HydrophobicContact CG-CB 3.86Å; M118-F259 HydrophobicContact CG-CD1 4.08Å; M118-F259 HydrophobicContact CG-CD2 3.39Å; M118-F259 HydrophobicContact CG-CE2 3.89Å; M118-F259 HydrophobicContact CG-CG 3.51Å; M118-F259 HydrophobicContact CG-CZ 4.41Å; M118-T260 PolarHBondContact N-O 3.19Å; M118-V262 PolarHBondContact O-N 3.42Å |
| 119 | I | 98.8 | Very high | 98.3 | Very high | 26 Ų | 26 | 54.2 Ų | 54.2 | 13% | 0.133 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 131.5 | 176.8 | -62.7 | -74.9 | 0 | 0 | 0 | 110 | T121 R125 V262 Y265 | I119-T121 HydrophobicContact CG2-CG2 3.96Å; I119-R125 HydrophobicContact CB-CG 4.09Å; I119-R125 HydrophobicContact CG2-CG 3.98Å; I119-R125 WeakPolarHBondContact O-CB 3.45Å; I119-R125 WeakPolarHBondContact O-CG 3.32Å; I119-V262 CarbonylContact C-O 3.6Å; I119-V262 VanDerWaalsContact CA-O 3.24Å; I119-V262 WeakPolarHBondContact CA-O 3.46Å; I119-V262 HydrophobicContact CD1-CG2 4.16Å; I119-Y265 HydrophobicContact CD1-CD1 3.97Å; I119-Y265 HydrophobicContact CD1-CD2 4.21Å; I119-Y265 HydrophobicContact CD1-CE1 3.95Å; I119-Y265 HydrophobicContact CD1-CE2 4.19Å; I119-Y265 HydrophobicContact CD1-CG 4.09Å; I119-Y265 HydrophobicContact CG1-CD1 4.15Å; I119-Y265 HydrophobicContact CG1-CD2 4.47Å; I119-Y265 HydrophobicContact CG1-CE1 3.59Å; I119-Y265 HydrophobicContact CG1-CE2 3.95Å; I119-Y265 VanDerWaalsContact CG1-CZ 3.47Å |
| 120 | I | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | trans | -113.5 | 140.4 | 170.5 | 68.3 | -178 | 0 | 0 | 0 | 110.4 | L206 N208 L219 A261 V262 T263 | I120-L206 HydrophobicContact CG2-CB 3.78Å; I120-L206 HydrophobicContact CG2-CD1 4.48Å; I120-N208 HydrophobicContact CD1-CB 3.71Å; I120-N208 HydrophobicContact CG1-CB 3.98Å; I120-L219 WeakPolarHBondContact CD1-O 3.4Å; I120-L219 HydrophobicContact CG2-CD1 4.42Å; I120-A261 HydrophobicContact CD1-CB 4.3Å; I120-A261 HydrophobicContact CG2-CB 4.07Å; I120-V262 PolarHBondContact N-O 2.87Å; I120-T263 HydrophobicContact CG1-CG2 4.26Å | ||
| 121 | T | 98.4 | Very high | 98.3 | Very high | 40 Ų | 40 | 47.2 Ų | 47.2 | 25% | 0.245 | 23% | 0.232 | C | C | . | . | trans | -141.7 | 153.6 | 180 | 65.1 | 0 | 0 | 0 | 0 | 111.8 | I119 S123 G124 R125 T207 N208 | I119-T121 HydrophobicContact CG2-CG2 3.96Å; T121-S123 PolarHBondContact O-N 2.9Å; T121-G124 PolarHBondContact O-N 3.49Å; T121-G124 PolarHBondContact OG1-N 3.04Å; T121-R125 HydrophobicContact CG2-CB 4.24Å; T121-T207 VanDerWaalsContact O-CA 3.32Å; T121-T207 WeakPolarHBondContact O-CA 3.43Å; T121-T207 WeakPolarHBondContact O-CB 3.4Å; T121-T207 PolarHBondContact O-OG1 2.85Å; T121-N208 VanDerWaalsContact C-OD1 3.25Å | ||
| 122 | K | 97.3 | Very high | 98.3 | Very high | 155 Ų | 155 | 50.3 Ų | 50.3 | 67% | 0.674 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | -34.8 | 179.2 | -174.2 | 176.6 | -177.9 | 176.6 | 0 | 114.1 | T207 N208 N209 | K122-T207 PolarHBondContact O-OG1 3.07Å; K122-N208 PolarHBondContact N-OD1 3.02Å; K122-N208 VanDerWaalsContact N-OD1 3.08Å; K122-N209 HydrophobicContact CG-CB 4.13Å |
| 123 | S | 97.3 | Very high | 98.3 | Very high | 81 Ų | 81 | 46.3 Ų | 46.3 | 57% | 0.566 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 1.3 | -180 | 52.2 | 0 | 0 | 0 | 0 | 115.1 | T121 K205 H216 | T121-S123 PolarHBondContact O-N 2.9Å; S123-K205 PolarHBondContact O-NZ 3.19Å; S123-H216 PolarHBondContact O-CE1 3.06Å |
| 124 | G | 97.9 | Very high | 98.3 | Very high | 9 Ų | 9 | 40 Ų | 40 | 9% | 0.093 | 20% | 0.199 | C | C | . | . | trans | 77.9 | 121.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | T121 K205 L206 | T121-G124 PolarHBondContact O-N 3.49Å; T121-G124 PolarHBondContact OG1-N 3.04Å; G124-K205 WeakPolarHBondContact O-CD 3.47Å; G124-K205 VanDerWaalsContact O-CE 3.26Å; G124-K205 WeakPolarHBondContact O-CE 3.37Å; G124-L206 WeakPolarHBondContact CA-O 3.45Å | ||
| 125 | R | 98.5 | Very high | 98.4 | Very high | 134 Ų | 134 | 37.8 Ų | 37.8 | 51% | 0.506 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 134.4 | -179.4 | -174.3 | 71.1 | 178.2 | -172.5 | -1.1 | 111.2 | I119 T121 K205 L206 | I119-R125 HydrophobicContact CB-CG 4.09Å; I119-R125 HydrophobicContact CG2-CG 3.98Å; I119-R125 WeakPolarHBondContact O-CB 3.45Å; I119-R125 WeakPolarHBondContact O-CG 3.32Å; T121-R125 HydrophobicContact CG2-CB 4.24Å; R125-K205 CarbonylContact O-C 3.6Å; R125-K205 VanDerWaalsContact O-CA 3.28Å; R125-K205 WeakPolarHBondContact O-CA 3.44Å; R125-L206 PolarHBondContact N-O 2.84Å; R125-L206 PolarHBondContact O-N 2.84Å |
| 126 | R | 98.4 | Very high | 98.3 | Very high | 135 Ų | 135 | 39.1 Ų | 39.1 | 51% | 0.509 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 143.5 | 174.7 | -74 | -178.1 | 173 | -174.1 | -5.6 | 111.7 | E202 V204 K205 | R126-E202 WeakPolarHBondContact CD-O 3.44Å; R126-E202 PolarHBondContact NE-O 3.04Å; R126-V204 WeakPolarHBondContact CA-O 3.19Å; R126-K205 HydrophobicContact CG-CG 4.3Å |
| 127 | M | 98.4 | Very high | 98.1 | Very high | 11 Ų | 11 | 40.9 Ų | 40.9 | 5% | 0.054 | 21% | 0.211 | C | C | . | . | trans | -66.9 | 146.3 | 172.8 | -56 | -169.3 | -59.1 | 0 | 0 | 111.4 | M118 P129 I131 M148 I150 V204 L206 | M118-M127 HydrophobicContact CE-CB 4.21Å; M118-M127 HydrophobicContact SD-CB 4.16Å; M127-P129 CarbonylContact C-O 3.52Å; M127-I131 HydrophobicContact CE-CB 4.24Å; M127-I131 HydrophobicContact CE-CD1 3.93Å; M127-I131 HydrophobicContact CE-CG1 3.91Å; M127-M148 HydrophobicContact CE-CE 3.9Å; M127-M148 HydrophobicContact CE-SD 4.16Å; M127-M148 HydrophobicContact SD-CE 4.39Å; M127-I150 HydrophobicContact SD-CD1 4.37Å; M127-V204 HydrophobicContact CE-CB 4.31Å; M127-V204 HydrophobicContact CE-CG1 4.22Å; M127-V204 HydrophobicContact SD-CG1 4.38Å; M127-L206 HydrophobicContact CG-CD1 3.89Å; M127-L206 HydrophobicContact CG-CD2 4.27Å; M127-L206 HydrophobicContact CG-CG 3.97Å; M127-L206 HydrophobicContact SD-CD1 4.35Å; M127-L206 HydrophobicContact SD-CD2 4.29Å | ||
| 128 | F | 98.5 | Very high | 97.9 | Very high | 32 Ų | 32 | 41.4 Ų | 41.4 | 14% | 0.14 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -144.1 | 122.4 | 165.4 | -174.9 | -87.3 | 0 | 0 | 0 | 110.3 | L107 F111 M118 K274 N278 | L107-F128 HydrophobicContact CD2-CZ 4.2Å; F111-F128 HydrophobicContact CE2-CD1 4.29Å; F111-F128 AromaticContact CE2-CE1 3.88Å; F111-F128 HydrophobicContact CE2-CE1 3.88Å; F111-F128 HydrophobicContact CZ-CD1 4.22Å; F111-F128 AromaticContact CZ-CE1 3.98Å; F111-F128 HydrophobicContact CZ-CE1 3.98Å; M118-F128 WeakPolarHBondContact CE-O 3.14Å; M118-F128 VanDerWaalsContact SD-O 3.38Å; F128-K274 HydrophobicContact CD1-CD 3.87Å; F128-K274 PolarHBondContact O-NZ 3.27Å; F128-N278 HydrophobicContact CD1-CB 4.02Å; F128-N278 HydrophobicContact CD2-CB 3.95Å; F128-N278 WeakPolarHBondContact CD2-ND2 3.35Å; F128-N278 HydrophobicContact CE1-CB 3.83Å; F128-N278 HydrophobicContact CE2-CB 3.74Å; F128-N278 HydrophobicContact CG-CB 4.09Å; F128-N278 WeakPolarHBondContact CG-ND2 3.28Å; F128-N278 HydrophobicContact CZ-CB 3.69Å |
| 129 | P | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | S | Bend | cis | -62.6 | 164 | 0.9 | -18.9 | 32.5 | 0 | 0 | 0 | 113 | L107 W108 F111 M127 | L107-P129 HydrophobicContact CD2-CB 4.17Å; L107-P129 HydrophobicContact CD2-CG 4Å; L107-P129 HydrophobicContact CG-CG 3.9Å; W108-P129 HydrophobicContact CD2-CB 4.18Å; W108-P129 HydrophobicContact CD2-CG 4.13Å; W108-P129 HydrophobicContact CE3-CG 4.43Å; W108-P129 HydrophobicContact CZ2-CB 3.85Å; W108-P129 HydrophobicContact CZ2-CG 4.44Å; W108-P129 WeakPolarHBondContact CZ2-O 3.35Å; F111-P129 HydrophobicContact CD2-CG 3.42Å; F111-P129 VanDerWaalsContact CD2-CG 3.42Å; F111-P129 HydrophobicContact CE2-CG 3.65Å; F111-P129 HydrophobicContact CG-CG 4.43Å; M127-P129 CarbonylContact C-O 3.52Å |
| 130 | T | 98.4 | Very high | 97.5 | Very high | 27 Ų | 27 | 47.6 Ų | 47.6 | 17% | 0.166 | 25% | 0.245 | C | C | . | . | trans | -82 | 138.1 | 173 | -57.8 | 0 | 0 | 0 | 0 | 109 | W108 R132 E202 | W108-T130 PolarHBondContact NE1-O 2.85Å; T130-R132 HydrophobicContact CG2-CG 3.97Å; T130-R132 PolarHBondContact O-N 3.08Å; T130-E202 HydrophobicContact CG2-CB 3.81Å | ||
| 131 | I | 98.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | trans | -73.7 | 114.5 | 167.6 | -62.5 | 179.4 | 0 | 0 | 0 | 107.4 | L102 W108 M127 V133 M148 F201 P227 V229 | L102-I131 HydrophobicContact CD1-CG2 4.38Å; W108-I131 HydrophobicContact CH2-CD1 4.48Å; W108-I131 HydrophobicContact CH2-CG1 3.9Å; W108-I131 HydrophobicContact CZ2-CD1 4.48Å; W108-I131 HydrophobicContact CZ2-CG1 3.49Å; W108-I131 VanDerWaalsContact CZ2-CG1 3.49Å; M127-I131 HydrophobicContact CE-CB 4.24Å; M127-I131 HydrophobicContact CE-CD1 3.93Å; M127-I131 HydrophobicContact CE-CG1 3.91Å; I131-V133 HydrophobicContact CG2-CG1 4.24Å; I131-M148 HydrophobicContact CB-SD 4.42Å; I131-M148 HydrophobicContact CD1-SD 3.82Å; I131-F201 HydrophobicContact CB-CB 4.44Å; I131-F201 HydrophobicContact CB-CD2 4.34Å; I131-F201 HydrophobicContact CG2-CD2 3.99Å; I131-F201 WeakPolarHBondContact O-CB 3.35Å; I131-F201 PolarHBondContact O-N 2.83Å; I131-P227 HydrophobicContact CD1-CB 3.31Å; I131-P227 HydrophobicContact CD1-CG 3.6Å; I131-V229 HydrophobicContact CG2-CG2 4.06Å | ||
| 132 | R | 98.6 | Very high | 96.9 | Very high | 65 Ų | 65 | 53.7 Ų | 53.7 | 25% | 0.245 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 134.6 | 176.9 | -72.2 | 174.3 | -178.2 | -85.7 | -11.2 | 106.6 | E103 T130 M198 V199 S200 E202 | E103-R132 HydrophobicContact CB-CB 3.79Å; E103-R132 WeakPolarHBondContact CB-O 3.47Å; E103-R132 HydrophobicContact CG-CB 4.25Å; E103-R132 PolarHBondContact N-O 2.7Å; T130-R132 HydrophobicContact CG2-CG 3.97Å; T130-R132 PolarHBondContact O-N 3.08Å; R132-M198 HydrophobicContact CB-SD 4.09Å; R132-M198 HydrophobicContact CG-SD 4.2Å; R132-V199 WeakPolarHBondContact CA-O 3.49Å; R132-S200 PolarHBondContact NH1-OG 2.99Å; R132-S200 VanDerWaalsContact NH1-OG 3.16Å; R132-S200 PolarHBondContact NH2-OG 2.74Å; R132-E202 IonicContact CZ-OE2 3.58Å; R132-E202 IonicContact NH1-OE2 2.73Å; R132-E202 IonicContact NH2-OE2 3.68Å; R132-E202 PolarHBondContact NH2-OE2 3.32Å |
| 133 | V | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 146.3 | -175.3 | -65.3 | 0 | 0 | 0 | 0 | 111.9 | S101 L102 I131 F135 M198 V199 F201 V229 F254 | S101-V133 WeakPolarHBondContact O-CA 3.44Å; S101-V133 WeakPolarHBondContact O-CB 3.38Å; L102-V133 HydrophobicContact CD1-CG1 4.48Å; I131-V133 HydrophobicContact CG2-CG1 4.24Å; V133-F135 HydrophobicContact CG2-CE2 3.7Å; V133-F135 HydrophobicContact CG2-CZ 4Å; V133-M198 CarbonylContact O-C 3.6Å; V133-M198 VanDerWaalsContact O-CA 3.22Å; V133-M198 WeakPolarHBondContact O-CA 3.33Å; V133-M198 WeakPolarHBondContact O-CB 3.21Å; V133-V199 HydrophobicContact CG2-CB 4.17Å; V133-V199 PolarHBondContact N-O 3.11Å; V133-V199 PolarHBondContact O-N 2.97Å; V133-F201 HydrophobicContact CG2-CE2 4.3Å; V133-V229 HydrophobicContact CG1-CG2 4.35Å; V133-V229 HydrophobicContact CG2-CG1 4.29Å; V133-F254 HydrophobicContact CG1-CE2 3.84Å; V133-F254 HydrophobicContact CG1-CZ 4.34Å |
| 134 | S | 98.3 | Very high | 96.5 | Very high | 32 Ų | 32 | 47 Ų | 47 | 22% | 0.224 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 147 | 169.7 | -53.4 | 0 | 0 | 0 | 0 | 109.9 | C100 S101 E103 | C100-S134 CarbonylContact C-O 3.5Å; C100-S134 WeakPolarHBondContact CA-O 3.26Å; S101-S134 PolarHBondContact N-O 3.46Å; S101-S134 PolarHBondContact O-N 2.73Å; S101-S134 VanDerWaalsContact O-N 3.12Å; S101-S134 WeakPolarHBondContact OG-CB 3.46Å; S101-S134 PolarHBondContact OG-O 3.37Å; E103-S134 VanDerWaalsContact CD-OG 3.32Å; E103-S134 VanDerWaalsContact OE1-CB 3.28Å; E103-S134 WeakPolarHBondContact OE1-CB 3.39Å; E103-S134 PolarHBondContact OE1-OG 3.24Å |
| 135 | F | 97.9 | Very high | 96.4 | Very high | 8 Ų | 8 | 47.6 Ų | 47.6 | 4% | 0.035 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 147.7 | -179.8 | -66.2 | -88.1 | 0 | 0 | 0 | 111.1 | I98 S99 C100 V133 V138 V146 L194 V199 V229 I231 F252 | I98-F135 HydrophobicContact CG2-CD1 4.23Å; S99-F135 WeakPolarHBondContact O-CA 2.99Å; C100-F135 HydrophobicContact CB-CD1 3.94Å; C100-F135 HydrophobicContact CB-CE1 3.93Å; C100-F135 WeakPolarHBondContact SG-CE1 3.42Å; V133-F135 HydrophobicContact CG2-CE2 3.7Å; V133-F135 HydrophobicContact CG2-CZ 4Å; F135-V138 HydrophobicContact CB-CG1 4.43Å; F135-V146 HydrophobicContact CE2-CG1 4.04Å; F135-V146 HydrophobicContact CE2-CG2 4.16Å; F135-V146 HydrophobicContact CZ-CG1 3.98Å; F135-V146 HydrophobicContact CZ-CG2 4.3Å; F135-L194 HydrophobicContact CB-CB 4.28Å; F135-L194 HydrophobicContact CD2-CD2 4.09Å; F135-L194 HydrophobicContact CE2-CD2 4.47Å; F135-V199 HydrophobicContact CD2-CG2 4.24Å; F135-V199 HydrophobicContact CE2-CB 4.4Å; F135-V199 HydrophobicContact CE2-CG2 3.96Å; F135-V229 HydrophobicContact CZ-CG1 4.03Å; F135-I231 HydrophobicContact CD1-CD1 4.09Å; F135-I231 HydrophobicContact CE1-CB 4.16Å; F135-I231 HydrophobicContact CE1-CD1 4.16Å; F135-I231 HydrophobicContact CE1-CG2 4.44Å; F135-F252 HydrophobicContact CD1-CE2 4.36Å; F135-F252 HydrophobicContact CE1-CD2 4.17Å; F135-F252 AromaticContact CE1-CE2 3.87Å; F135-F252 HydrophobicContact CE1-CE2 3.87Å |
| 136 | S | 97 | Very high | 96.3 | Very high | 54 Ų | 54 | 41.2 Ų | 41.2 | 38% | 0.378 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 162.7 | 171.6 | 70 | 0 | 0 | 0 | 0 | 110.6 | I98 S99 V138 | I98-S136 CarbonylContact C-O 3.51Å; I98-S136 WeakPolarHBondContact CA-O 3.36Å; S99-S136 PolarHBondContact N-O 2.86Å; S99-S136 PolarHBondContact O-N 3.35Å; S99-S136 VanDerWaalsContact O-N 3.1Å; S99-S136 PolarHBondContact OG-OG 3.01Å; S136-V138 PolarHBondContact O-N 3.26Å |
| 137 | G | 94.9 | Very high | 96.1 | Very high | 40 Ų | 40 | 34.8 Ų | 34.8 | 41% | 0.412 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 70.9 | 17.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | I98 | I98-G137 WeakPolarHBondContact CG1-O 3.26Š|
| 138 | V | 94.8 | Very high | 96.1 | Very high | 11 Ų | 11 | 34.2 Ų | 34.2 | 7% | 0.067 | 19% | 0.187 | C | C | . | . | trans | -80.8 | 150.5 | 166.1 | -66.2 | 0 | 0 | 0 | 0 | 110.6 | I98 F135 S136 Y144 G191 L194 M195 I231 | I98-V138 HydrophobicContact CB-CG1 4.46Å; I98-V138 HydrophobicContact CD1-CG1 4.11Å; I98-V138 HydrophobicContact CG1-CG1 4.01Å; I98-V138 HydrophobicContact CG2-CG1 3.7Å; F135-V138 HydrophobicContact CB-CG1 4.43Å; S136-V138 PolarHBondContact O-N 3.26Å; V138-Y144 HydrophobicContact CB-CE2 3.85Å; V138-Y144 HydrophobicContact CG1-CE2 4.25Å; V138-G191 WeakPolarHBondContact CG2-O 3.33Å; V138-L194 HydrophobicContact CG1-CD1 4.49Å; V138-L194 HydrophobicContact CG2-CB 4.34Å; V138-M195 HydrophobicContact CG2-CG 3.51Å; V138-M195 HydrophobicContact CG2-SD 4.03Å; V138-I231 HydrophobicContact CG1-CD1 3.99Å | ||
| 139 | D | 93.6 | Very high | 95.9 | Very high | 61 Ų | 61 | 33 Ų | 33 | 33% | 0.326 | 18% | 0.182 | S | C | . | . | trans | -75 | 124 | 170.5 | 166.9 | 24 | 0 | 0 | 0 | 109.8 | D141 S142 Y144 G191 K233 | D139-D141 PolarHBondContact O-N 3.31Å; D139-D141 PolarHBondContact OD1-N 2.96Å; D139-S142 PolarHBondContact O-N 2.66Å; D139-S142 VanDerWaalsContact OD2-CB 3.26Å; D139-S142 WeakPolarHBondContact OD2-CB 3.46Å; D139-S142 PolarHBondContact OD2-OG 2.95Å; D139-Y144 PolarHBondContact N-OH 3.23Å; D139-Y144 WeakPolarHBondContact O-CE2 3.3Å; D139-G191 WeakPolarHBondContact O-CA 3.42Å; D139-K233 IonicContact OD2-NZ 2.68Å; D139-K233 PolarHBondContact OD2-NZ 2.87Å | ||
| 140 | Q | 94.6 | Very high | 95.9 | Very high | 100 Ų | 100 | 33.9 Ų | 33.9 | 47% | 0.467 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -67.9 | -36.7 | -167.1 | -67.8 | -177.5 | 3.9 | 0 | 0 | 113.4 | S142 G191 E192 M195 | Q140-S142 VanDerWaalsContact C-N 3.34Å; Q140-G191 PolarHBondContact O-N 2.93Å; Q140-E192 HydrophobicContact CB-CB 4.29Å; Q140-E192 PolarHBondContact O-N 3.33Å; Q140-E192 VanDerWaalsContact O-N 3.12Å; Q140-M195 HydrophobicContact CG-SD 3.8Å |
| 141 | D | 92.8 | Very high | 95.8 | Very high | 151 Ų | 151 | 33.3 Ų | 33.3 | 81% | 0.807 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -78.9 | -20.9 | -178.8 | -66.8 | -45.4 | 0 | 0 | 0 | 112.5 | D139 | D139-D141 PolarHBondContact O-N 3.31Å; D139-D141 PolarHBondContact OD1-N 2.96Å |
| 142 | S | 92.1 | Very high | 95.7 | Very high | 19 Ų | 19 | 37.1 Ų | 37.1 | 13% | 0.133 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -74.6 | 155.4 | -179.8 | -82.4 | 0 | 0 | 0 | 0 | 114 | D139 Q140 T190 G191 K233 | D139-S142 PolarHBondContact O-N 2.66Å; D139-S142 VanDerWaalsContact OD2-CB 3.26Å; D139-S142 WeakPolarHBondContact OD2-CB 3.46Å; D139-S142 PolarHBondContact OD2-OG 2.95Å; Q140-S142 VanDerWaalsContact C-N 3.34Å; S142-T190 CarbonylContact O-C 3.48Å; S142-T190 WeakPolarHBondContact O-CA 3.46Å; S142-G191 PolarHBondContact O-N 3.2Å; S142-K233 WeakPolarHBondContact OG-CE 3.38Å; S142-K233 PolarHBondContact OG-NZ 3.02Å |
| 143 | K | 93 | Very high | 95.6 | Very high | 96 Ų | 96 | 37.4 Ų | 37.4 | 42% | 0.417 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 137 | 177.2 | -70.1 | 165.3 | -169 | 147.5 | 0 | 111 | F189 K234 | K143-F189 CarbonylContact C-O 3.49Å; K143-F189 VanDerWaalsContact CA-O 3.26Å; K143-F189 WeakPolarHBondContact CA-O 3.43Å; K143-K234 HydrophobicContact CB-CB 4.3Å; K143-K234 WeakPolarHBondContact O-CB 3.49Å; K143-K234 PolarHBondContact O-N 3.31Å |
| 144 | Y | 93.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 137.3 | -174.8 | -64 | -85.4 | 0 | 0 | 0 | 111.7 | E94 M95 I98 V138 D139 P188 F189 L194 I231 I232 K233 | E94-Y144 PolarHBondContact OE1-OH 2.9Å; M95-Y144 HydrophobicContact SD-CE1 4.39Å; I98-Y144 HydrophobicContact CD1-CE1 3.93Å; V138-Y144 HydrophobicContact CB-CE2 3.85Å; V138-Y144 HydrophobicContact CG1-CE2 4.25Å; D139-Y144 PolarHBondContact N-OH 3.23Å; D139-Y144 WeakPolarHBondContact O-CE2 3.3Å; Y144-P188 CarbonylContact O-C 3.55Å; Y144-P188 VanDerWaalsContact O-CA 3.27Å; Y144-P188 WeakPolarHBondContact O-CA 3.29Å; Y144-F189 PolarHBondContact N-O 2.81Å; Y144-F189 PolarHBondContact O-N 3.36Å; Y144-L194 HydrophobicContact CD2-CD1 4.04Å; Y144-L194 HydrophobicContact CG-CD1 4.07Å; Y144-I231 HydrophobicContact CD1-CD1 3.74Å; Y144-I231 HydrophobicContact CD1-CG1 3.73Å; Y144-I231 HydrophobicContact CE1-CD1 4.37Å; Y144-I231 HydrophobicContact CG-CD1 3.92Å; Y144-I231 HydrophobicContact CG-CG1 4.11Å; Y144-I232 CarbonylContact C-O 3.54Å; Y144-I232 VanDerWaalsContact CA-O 3.27Å; Y144-I232 WeakPolarHBondContact CA-O 3.48Å; Y144-K233 HydrophobicContact CD1-CB 4.02Å; Y144-K233 HydrophobicContact CD1-CG 4.46Å; Y144-K233 HydrophobicContact CE1-CB 3.73Å; Y144-K233 HydrophobicContact CE1-CD 4.24Å; Y144-K233 HydrophobicContact CE1-CG 3.97Å |
| 145 | I | 94.9 | Very high | 95.4 | Very high | 20 Ų | 20 | 42.8 Ų | 42.8 | 10% | 0.103 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 127.2 | 166.7 | -59.1 | 176.3 | 0 | 0 | 0 | 107.1 | V183 P188 I231 I232 L241 | I145-V183 HydrophobicContact CG2-CG1 3.89Å; I145-P188 HydrophobicContact CG1-CB 4.26Å; I145-I231 WeakPolarHBondContact O-CA 3.19Å; I145-I232 HydrophobicContact CB-CB 4.4Å; I145-I232 PolarHBondContact N-O 2.78Å; I145-I232 PolarHBondContact O-N 3.25Å; I145-L241 HydrophobicContact CD1-CD2 4.02Å; I145-L241 HydrophobicContact CG2-CD2 4.38Å |
| 146 | V | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 127.4 | 175.8 | 178.4 | 0 | 0 | 0 | 0 | 108.6 | F135 H184 S187 F189 L194 V199 F201 V229 H230 I231 | F135-V146 HydrophobicContact CE2-CG1 4.04Å; F135-V146 HydrophobicContact CE2-CG2 4.16Å; F135-V146 HydrophobicContact CZ-CG1 3.98Å; F135-V146 HydrophobicContact CZ-CG2 4.3Å; V146-H184 WeakPolarHBondContact O-CB 3.4Å; V146-H184 PolarHBondContact O-N 2.83Å; V146-S187 PolarHBondContact N-OG 2.95Å; V146-S187 PolarHBondContact O-OG 2.93Å; V146-F189 HydrophobicContact CB-CD2 4.28Å; V146-F189 HydrophobicContact CB-CE2 4.11Å; V146-F189 HydrophobicContact CG2-CD2 4.02Å; V146-F189 HydrophobicContact CG2-CE2 4.27Å; V146-L194 HydrophobicContact CG2-CD1 4.11Å; V146-L194 HydrophobicContact CG2-CD2 4Å; V146-V199 HydrophobicContact CG1-CG1 4.05Å; V146-F201 HydrophobicContact CG1-CZ 3.94Å; V146-V229 HydrophobicContact CG1-CG1 4.43Å; V146-H230 WeakPolarHBondContact CA-O 3.43Å; V146-I231 HydrophobicContact CG2-CD1 4.37Å; V146-I231 HydrophobicContact CG2-CG1 4.11Å |
| 147 | L | 95.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 166 | -177.4 | 69 | 83.5 | 0 | 0 | 0 | 111.3 | I84 L181 Y182 V183 H230 I232 | I84-L147 HydrophobicContact CD1-CD1 3.84Å; L147-L181 HydrophobicContact CD1-CB 4.32Å; L147-L181 HydrophobicContact CD1-CD1 4.41Å; L147-L181 HydrophobicContact CD1-CD2 4.11Å; L147-L181 HydrophobicContact CD2-CD1 4.38Å; L147-Y182 CarbonylContact C-O 3.59Å; L147-Y182 WeakPolarHBondContact CA-O 3.29Å; L147-Y182 WeakPolarHBondContact CB-O 3.09Å; L147-V183 HydrophobicContact CB-CB 4.38Å; L147-V183 HydrophobicContact CB-CG2 4.14Å; L147-V183 HydrophobicContact CD2-CG2 4.24Å; L147-H230 HydrophobicContact CD1-CB 3.79Å; L147-H230 HydrophobicContact CG-CB 4.07Å; L147-H230 PolarHBondContact N-O 3.04Å; L147-H230 PolarHBondContact O-N 3.04Å; L147-I232 HydrophobicContact CD2-CD1 3.88Å |
| 148 | M | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 140.9 | 178.7 | -167 | -170.5 | 81.3 | 0 | 0 | 110.5 | M127 I131 I150 Y182 F201 V204 I217 R228 V229 | M127-M148 HydrophobicContact CE-CE 3.9Å; M127-M148 HydrophobicContact CE-SD 4.16Å; M127-M148 HydrophobicContact SD-CE 4.39Å; I131-M148 HydrophobicContact CB-SD 4.42Å; I131-M148 HydrophobicContact CD1-SD 3.82Å; M148-I150 HydrophobicContact CE-CD1 3.92Å; M148-I150 HydrophobicContact CE-CG1 3.94Å; M148-Y182 PolarHBondContact N-O 2.96Å; M148-Y182 PolarHBondContact O-N 2.92Å; M148-F201 HydrophobicContact CB-CD1 3.87Å; M148-F201 HydrophobicContact CB-CE1 3.57Å; M148-F201 HydrophobicContact CB-CE2 4.43Å; M148-F201 HydrophobicContact CB-CG 4.42Å; M148-F201 HydrophobicContact CB-CZ 3.86Å; M148-F201 HydrophobicContact SD-CB 4.25Å; M148-F201 HydrophobicContact SD-CD1 4.3Å; M148-F201 HydrophobicContact SD-CD2 4.3Å; M148-F201 HydrophobicContact SD-CG 4.02Å; M148-V204 HydrophobicContact CE-CG1 3.94Å; M148-V204 HydrophobicContact CE-CG2 4.02Å; M148-I217 HydrophobicContact CE-CD1 3.94Å; M148-R228 CarbonylContact C-O 3.53Å; M148-R228 VanDerWaalsContact CA-O 3.27Å; M148-R228 WeakPolarHBondContact CA-O 3.44Å; M148-R228 WeakPolarHBondContact CG-O 3.39Å; M148-V229 HydrophobicContact CG-CG2 4.31Å |
| 149 | D | 95.8 | Very high | 95.8 | Very high | 6 Ų | 6 | 53.5 Ų | 53.5 | 3% | 0.032 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 171.8 | 165.3 | 97.8 | -9.7 | 0 | 0 | 0 | 111.3 | L181 P227 R228 H230 | D149-L181 HydrophobicContact CB-CD2 3.67Å; D149-P227 WeakPolarHBondContact O-CA 3.34Å; D149-R228 PolarHBondContact N-O 2.93Å; D149-R228 PolarHBondContact O-N 3.39Å; D149-R228 WeakPolarHBondContact OD1-CB 3.39Å; D149-R228 IonicContact OD1-CZ 2.73Å; D149-R228 IonicContact OD1-NE 2.75Å; D149-R228 PolarHBondContact OD1-NE 2.96Å; D149-R228 IonicContact OD1-NH2 3.5Å; D149-R228 PolarHBondContact OD1-NH2 3.09Å; D149-R228 IonicContact OD2-CZ 2.64Å; D149-R228 IonicContact OD2-NE 2.81Å; D149-R228 IonicContact OD2-NH2 3.54Å; D149-R228 PolarHBondContact OD2-NH2 3.29Å; D149-H230 IonicContact OD1-NE2 2.7Å |
| 150 | I | 97.3 | Very high | 96 | Very high | 19 Ų | 19 | 51.5 Ų | 51.5 | 10% | 0.097 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 111.5 | 177.4 | -59.9 | -176.2 | 0 | 0 | 0 | 107.5 | M127 M148 L206 I217 L219 Y225 F259 | M127-I150 HydrophobicContact SD-CD1 4.37Å; M148-I150 HydrophobicContact CE-CD1 3.92Å; M148-I150 HydrophobicContact CE-CG1 3.94Å; I150-L206 HydrophobicContact CD1-CD2 3.56Å; I150-I217 HydrophobicContact CB-CG2 4.3Å; I150-I217 HydrophobicContact CD1-CD1 3.77Å; I150-I217 HydrophobicContact CD1-CG2 4.23Å; I150-I217 HydrophobicContact CG1-CD1 3.97Å; I150-I217 HydrophobicContact CG1-CG2 4.47Å; I150-L219 HydrophobicContact CB-CD2 4.42Å; I150-L219 HydrophobicContact CG2-CD2 3.92Å; I150-Y225 HydrophobicContact CG2-CD1 3.9Å; I150-Y225 HydrophobicContact CG2-CG 3.96Å; I150-F259 HydrophobicContact CD1-CE1 4.33Å; I150-F259 HydrophobicContact CD1-CZ 4.25Å; I150-F259 HydrophobicContact CG2-CE1 4.2Å; I150-F259 HydrophobicContact CG2-CZ 4.12Å |
| 151 | V | 96.1 | Very high | 96.2 | Very high | 15 Ų | 15 | 47.1 Ų | 47.1 | 9% | 0.091 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 148.7 | -179.1 | -65.9 | 0 | 0 | 0 | 0 | 111.5 | P82 Y225 Q226 R228 | P82-V151 HydrophobicContact CB-CG1 4.26Å; P82-V151 HydrophobicContact CG-CG1 4.23Å; V151-Y225 CarbonylContact O-C 3.45Å; V151-Y225 WeakPolarHBondContact O-CA 3.28Å; V151-Q226 HydrophobicContact CG2-CB 4.17Å; V151-Q226 PolarHBondContact N-O 3.05Å; V151-Q226 PolarHBondContact O-N 3.26Å; V151-R228 HydrophobicContact CG2-CG 4.16Å |
| 152 | P | 96.5 | Very high | 96.4 | Very high | 83 Ų | 83 | 46.2 Ų | 46.2 | 54% | 0.539 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 141 | 172.6 | 28.2 | -34.6 | 0 | 0 | 0 | 110.9 | K224 Y225 | P152-K224 WeakPolarHBondContact CA-O 3.3Å; P152-Y225 HydrophobicContact CB-CD1 4.4Å; P152-Y225 HydrophobicContact CB-CE1 4.15Å |
| 153 | V | 96.8 | Very high | 96.5 | Very high | 71 Ų | 71 | 53 Ų | 53 | 43% | 0.43 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -77.6 | -38.7 | 178 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | K224 Q226 V258 | V153-K224 HydrophobicContact CB-CB 3.92Å; V153-K224 HydrophobicContact CG2-CB 4.14Å; V153-K224 PolarHBondContact N-O 3.29Å; V153-Q226 HydrophobicContact CG2-CB 3.95Å; V153-V258 HydrophobicContact CG2-CG1 4.07Å; V153-V258 HydrophobicContact CG2-CG2 4.31Å |
| 154 | D | 96.4 | Very high | 96.6 | Very high | 39 Ų | 39 | 56.5 Ų | 56.5 | 21% | 0.209 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -153 | 172.7 | 176.6 | 68.1 | 8.2 | 0 | 0 | 0 | 112.9 | K156 Y158 | D154-K156 HydrophobicContact CB-CG 4.42Å; D154-K156 PolarHBondContact O-N 3.33Å; D154-K156 WeakPolarHBondContact OD1-CB 3.46Å; D154-K156 PolarHBondContact OD1-N 3.15Å; D154-K156 VanDerWaalsContact OD2-CD 3.32Å; D154-K156 WeakPolarHBondContact OD2-CD 3.27Å; D154-K156 WeakPolarHBondContact OD2-CE 3.46Å; D154-K156 WeakPolarHBondContact OD2-CG 3.48Å; D154-K156 IonicContact OD2-NZ 3.59Å; D154-K156 PolarHBondContact OD2-NZ 3.04Å; D154-Y158 PolarHBondContact OD2-OH 2.88Å |
| 155 | N | 96.6 | Very high | 96.7 | Very high | 106 Ų | 106 | 60.6 Ų | 60.6 | 57% | 0.567 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -87.4 | 43.2 | 178.6 | -163.1 | -16 | 0 | 0 | 0 | 111.4 | K172 A173 | N155-K172 WeakPolarHBondContact OD1-CG 3.47Å; N155-A173 PolarHBondContact O-N 2.83Å; N155-A173 WeakPolarHBondContact OD1-CB 3.44Å |
| 156 | K | 97.9 | Very high | 96.7 | Very high | 87 Ų | 87 | 61.4 Ų | 61.4 | 38% | 0.378 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 138.6 | -178.2 | -51.5 | -169.8 | -165.4 | 92.9 | 0 | 112.2 | D154 Y158 V169 G171 H223 | D154-K156 HydrophobicContact CB-CG 4.42Å; D154-K156 PolarHBondContact O-N 3.33Å; D154-K156 WeakPolarHBondContact OD1-CB 3.46Å; D154-K156 PolarHBondContact OD1-N 3.15Å; D154-K156 VanDerWaalsContact OD2-CD 3.32Å; D154-K156 WeakPolarHBondContact OD2-CD 3.27Å; D154-K156 WeakPolarHBondContact OD2-CE 3.46Å; D154-K156 WeakPolarHBondContact OD2-CG 3.48Å; D154-K156 IonicContact OD2-NZ 3.59Å; D154-K156 PolarHBondContact OD2-NZ 3.04Å; K156-Y158 HydrophobicContact CB-CE2 4.02Å; K156-V169 HydrophobicContact CB-CG1 4.32Å; K156-V169 HydrophobicContact CD-CG1 4.09Å; K156-V169 HydrophobicContact CD-CG2 3.7Å; K156-G171 WeakPolarHBondContact CA-O 3.32Å; K156-H223 PolarHBondContact O-CD2 3.41Å; K156-H223 VanDerWaalsContact O-CD2 3.32Å |
| 157 | R | 98.3 | Very high | 96.8 | Very high | 104 Ų | 104 | 63.6 Ų | 63.6 | 39% | 0.392 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 139.5 | 165.9 | -175.5 | 168.1 | 171.9 | 175.8 | -3.3 | 109.1 | A170 G171 K172 D174 | R157-A170 WeakPolarHBondContact O-CA 3.44Å; R157-A170 WeakPolarHBondContact O-CB 3.5Å; R157-A170 PolarHBondContact O-N 2.78Å; R157-G171 PolarHBondContact N-O 2.99Å; R157-G171 PolarHBondContact O-N 3.42Å; R157-K172 VanDerWaalsContact CB-O 3.23Å; R157-K172 WeakPolarHBondContact CB-O 3.49Å; R157-D174 WeakPolarHBondContact CD-OD1 3.46Å; R157-D174 IonicContact CZ-OD1 3.5Å; R157-D174 IonicContact CZ-OD2 3.95Å; R157-D174 IonicContact NE-OD1 3.63Å; R157-D174 IonicContact NE-OD2 2.79Å; R157-D174 IonicContact NH1-OD1 3.69Å; R157-D174 PolarHBondContact NH1-OD1 2.79Å; R157-D174 IonicContact NH1-OD2 3.09Å; R157-D174 PolarHBondContact NH1-OD2 2.85Å |
| 158 | Y | 98.6 | Very high | 96.9 | Very high | 21 Ų | 21 | 65.9 Ų | 65.9 | 8% | 0.082 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 164.1 | -174.2 | -74.2 | -89.4 | 0 | 0 | 0 | 113.4 | D154 K156 L168 V169 M222 K224 | D154-Y158 PolarHBondContact OD2-OH 2.88Å; K156-Y158 HydrophobicContact CB-CE2 4.02Å; Y158-L168 CarbonylContact C-O 3.58Å; Y158-L168 WeakPolarHBondContact CA-O 3.43Å; Y158-L168 WeakPolarHBondContact CD1-O 3.27Å; Y158-V169 HydrophobicContact CD1-CG2 4.46Å; Y158-V169 HydrophobicContact CE1-CG2 3.95Å; Y158-M222 WeakPolarHBondContact CB-O 3.45Å; Y158-M222 PolarHBondContact N-O 3.35Å; Y158-M222 WeakPolarHBondContact O-CB 3.39Å; Y158-K224 HydrophobicContact CD2-CD 4.42Å; Y158-K224 HydrophobicContact CD2-CG 4.06Å; Y158-K224 HydrophobicContact CE2-CB 4.29Å; Y158-K224 HydrophobicContact CE2-CD 3.66Å; Y158-K224 HydrophobicContact CE2-CG 3.68Å; Y158-K224 VanDerWaalsContact CZ-CE 3.49Å; Y158-K224 PolarHBondContact OH-NZ 3.26Å |
| 159 | R | 98.3 | Very high | 97 | Very high | 125 Ų | 125 | 69.5 Ų | 69.5 | 47% | 0.472 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 148.3 | 164.2 | 68.8 | -179.2 | -173.6 | -77.5 | 1.6 | 110 | L168 V169 A170 | R159-L168 HydrophobicContact CG-CB 4.3Å; R159-L168 PolarHBondContact N-O 3.32Å; R159-L168 PolarHBondContact O-N 2.64Å; R159-V169 PolarHBondContact NH1-O 2.91Å; R159-A170 HydrophobicContact CB-CB 4.14Å; R159-A170 HydrophobicContact CG-CB 4.16Å |
| 160 | Y | 98.4 | Very high | 97.1 | Very high | 20 Ų | 20 | 71.7 Ų | 71.7 | 8% | 0.078 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 135.4 | 172.8 | -166.6 | -107.1 | 0 | 0 | 0 | 110.6 | Y162 S165 W167 Q266 N267 | Y160-Y162 AromaticContact CD1-CD1 3.76Å; Y160-Y162 HydrophobicContact CD1-CD1 3.76Å; Y160-Y162 HydrophobicContact CD1-CD2 4.29Å; Y160-Y162 AromaticContact CD1-CE1 3.79Å; Y160-Y162 HydrophobicContact CD1-CE1 3.79Å; Y160-Y162 HydrophobicContact CD1-CE2 4.29Å; Y160-Y162 HydrophobicContact CD1-CG 4.02Å; Y160-Y162 AromaticContact CE1-CD1 3.89Å; Y160-Y162 HydrophobicContact CE1-CD1 3.89Å; Y160-Y162 HydrophobicContact CE1-CE1 4.16Å; Y160-Y162 HydrophobicContact CE1-CG 4.37Å; Y160-S165 VanDerWaalsContact OH-C 3.3Å; Y160-S165 VanDerWaalsContact OH-CA 3.29Å; Y160-S165 WeakPolarHBondContact OH-CA 3.27Å; Y160-S165 PolarHBondContact OH-O 3.17Å; Y160-W167 AromaticContact CD2-CD1 3.97Å; Y160-W167 AromaticContact CD2-CD2 3.89Å; Y160-W167 HydrophobicContact CD2-CD2 3.89Å; Y160-W167 AromaticContact CD2-CE2 3.79Å; Y160-W167 HydrophobicContact CD2-CE3 4.48Å; Y160-W167 HydrophobicContact CD2-CG 4.03Å; Y160-W167 HydrophobicContact CD2-CZ2 4.33Å; Y160-W167 AromaticContact CD2-NE1 3.81Å; Y160-Q266 HydrophobicContact CD1-CB 3.83Å; Y160-Q266 HydrophobicContact CD2-CB 4.15Å; Y160-Q266 HydrophobicContact CG-CB 3.61Å; Y160-N267 HydrophobicContact CE2-CB 4.01Å |
| 161 | A | 97.9 | Very high | 97.1 | Very high | 8 Ų | 8 | 72.4 Ų | 72.4 | 7% | 0.066 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 89 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | H163 R164 S165 S166 L168 | A161-H163 VanDerWaalsContact C-N 3.29Å; A161-H163 PolarHBondContact O-N 3.42Å; A161-R164 CarbonylContact O-C 3.49Å; A161-R164 WeakPolarHBondContact O-CA 3.38Å; A161-R164 PolarHBondContact O-N 3.48Å; A161-S165 PolarHBondContact O-N 2.78Å; A161-S166 PolarHBondContact N-O 3.46Å; A161-S166 PolarHBondContact O-N 3Å; A161-L168 HydrophobicContact CB-CD1 3.64Å; A161-L168 HydrophobicContact CB-CG 3.94Å |
| 162 | Y | 96.7 | Very high | 97.1 | Very high | 132 Ų | 132 | 79.3 Ų | 79.3 | 52% | 0.518 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -49.9 | -43.2 | -175.3 | -65.4 | -85 | 0 | 0 | 0 | 114 | Y160 R164 S165 Q266 | Y160-Y162 AromaticContact CD1-CD1 3.76Å; Y160-Y162 HydrophobicContact CD1-CD1 3.76Å; Y160-Y162 HydrophobicContact CD1-CD2 4.29Å; Y160-Y162 AromaticContact CD1-CE1 3.79Å; Y160-Y162 HydrophobicContact CD1-CE1 3.79Å; Y160-Y162 HydrophobicContact CD1-CE2 4.29Å; Y160-Y162 HydrophobicContact CD1-CG 4.02Å; Y160-Y162 AromaticContact CE1-CD1 3.89Å; Y160-Y162 HydrophobicContact CE1-CD1 3.89Å; Y160-Y162 HydrophobicContact CE1-CE1 4.16Å; Y160-Y162 HydrophobicContact CE1-CG 4.37Å; Y162-R164 PolarHBondContact O-N 2.99Å; Y162-R164 VanDerWaalsContact O-N 3.08Å; Y162-S165 PolarHBondContact O-N 3.08Å; Y162-Q266 WeakPolarHBondContact CE1-O 3.42Å; Y162-Q266 PolarHBondContact OH-OE1 2.95Å |
| 163 | H | 95 | Very high | 97.2 | Very high | 162 Ų | 162 | 76.4 Ų | 76.4 | 75% | 0.75 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -67 | -6 | 178.7 | 68.7 | -85.3 | 0 | 0 | 0 | 114.8 | A161 | A161-H163 VanDerWaalsContact C-N 3.29Å; A161-H163 PolarHBondContact O-N 3.42Å |
| 164 | R | 94.3 | Very high | 97.1 | Very high | 168 Ų | 168 | 75.5 Ų | 75.5 | 63% | 0.634 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -130.5 | 7.4 | 176.7 | -75.9 | 171 | 69.1 | 167.4 | 2.7 | 112.7 | A161 Y162 S166 | A161-R164 CarbonylContact O-C 3.49Å; A161-R164 WeakPolarHBondContact O-CA 3.38Å; A161-R164 PolarHBondContact O-N 3.48Å; Y162-R164 PolarHBondContact O-N 2.99Å; Y162-R164 VanDerWaalsContact O-N 3.08Å; R164-S166 WeakPolarHBondContact CB-OG 3.3Å; R164-S166 WeakPolarHBondContact O-CB 3.3Å; R164-S166 PolarHBondContact O-N 3.26Å; R164-S166 PolarHBondContact O-OG 3.18Å; R164-S166 VanDerWaalsContact O-OG 3.07Å |
| 165 | S | 95.4 | Very high | 96.9 | Very high | 87 Ų | 87 | 78.6 Ų | 78.6 | 61% | 0.608 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 40.3 | 41.5 | -174 | -62.2 | 0 | 0 | 0 | 0 | 114.6 | Y160 A161 Y162 | Y160-S165 VanDerWaalsContact OH-C 3.3Å; Y160-S165 VanDerWaalsContact OH-CA 3.29Å; Y160-S165 WeakPolarHBondContact OH-CA 3.27Å; Y160-S165 PolarHBondContact OH-O 3.17Å; A161-S165 PolarHBondContact O-N 2.78Å; Y162-S165 PolarHBondContact O-N 3.08Å |
| 166 | S | 96.3 | Very high | 96.3 | Very high | 36 Ų | 36 | 77.7 Ų | 77.7 | 25% | 0.252 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 149.2 | -168.5 | 55.8 | 0 | 0 | 0 | 0 | 114.3 | A161 R164 | A161-S166 PolarHBondContact N-O 3.46Å; A161-S166 PolarHBondContact O-N 3Å; R164-S166 WeakPolarHBondContact CB-OG 3.3Å; R164-S166 WeakPolarHBondContact O-CB 3.3Å; R164-S166 PolarHBondContact O-N 3.26Å; R164-S166 PolarHBondContact O-OG 3.18Å; R164-S166 VanDerWaalsContact O-OG 3.07Å |
| 167 | W | 97.8 | Very high | 95.9 | Very high | 47 Ų | 47 | 75 Ų | 75 | 18% | 0.178 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 124.7 | 175.8 | -76.5 | 102.3 | 0 | 0 | 0 | 111.4 | E117 Y160 M222 T260 V262 Q266 | E117-W167 HydrophobicContact CG-CZ2 4.06Å; Y160-W167 AromaticContact CD2-CD1 3.97Å; Y160-W167 AromaticContact CD2-CD2 3.89Å; Y160-W167 HydrophobicContact CD2-CD2 3.89Å; Y160-W167 AromaticContact CD2-CE2 3.79Å; Y160-W167 HydrophobicContact CD2-CE3 4.48Å; Y160-W167 HydrophobicContact CD2-CG 4.03Å; Y160-W167 HydrophobicContact CD2-CZ2 4.33Å; Y160-W167 AromaticContact CD2-NE1 3.81Å; W167-M222 HydrophobicContact CH2-CE 3.86Å; W167-M222 HydrophobicContact CH2-SD 4.34Å; W167-M222 HydrophobicContact CZ3-CE 3.66Å; W167-M222 HydrophobicContact CZ3-SD 4.49Å; W167-T260 HydrophobicContact CH2-CG2 3.67Å; W167-T260 HydrophobicContact CZ2-CG2 4.01Å; W167-T260 HydrophobicContact CZ3-CG2 3.95Å; W167-V262 HydrophobicContact CH2-CG1 3.85Å; W167-V262 HydrophobicContact CZ2-CG1 4.24Å; W167-Q266 HydrophobicContact CH2-CB 4.32Å; W167-Q266 HydrophobicContact CH2-CG 3.73Å; W167-Q266 HydrophobicContact CZ2-CB 4.13Å; W167-Q266 HydrophobicContact CZ2-CG 3.99Å |
| 168 | L | 97.6 | Very high | 95.3 | Very high | 48 Ų | 48 | 72.8 Ų | 72.8 | 25% | 0.251 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 149.6 | 177.6 | -58.4 | -176.7 | 0 | 0 | 0 | 111.1 | Y158 R159 A161 A170 | Y158-L168 CarbonylContact C-O 3.58Å; Y158-L168 WeakPolarHBondContact CA-O 3.43Å; Y158-L168 WeakPolarHBondContact CD1-O 3.27Å; R159-L168 HydrophobicContact CG-CB 4.3Å; R159-L168 PolarHBondContact N-O 3.32Å; R159-L168 PolarHBondContact O-N 2.64Å; A161-L168 HydrophobicContact CB-CD1 3.64Å; A161-L168 HydrophobicContact CB-CG 3.94Å; L168-A170 PolarHBondContact O-N 2.7Å |
| 169 | V | 98.3 | Very high | 94.6 | Very high | 75 Ų | 75 | 73.6 Ų | 73.6 | 46% | 0.455 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 129.8 | 170.5 | 178.8 | 0 | 0 | 0 | 0 | 109.5 | K156 Y158 R159 | K156-V169 HydrophobicContact CB-CG1 4.32Å; K156-V169 HydrophobicContact CD-CG1 4.09Å; K156-V169 HydrophobicContact CD-CG2 3.7Å; Y158-V169 HydrophobicContact CD1-CG2 4.46Å; Y158-V169 HydrophobicContact CE1-CG2 3.95Å; R159-V169 PolarHBondContact NH1-O 2.91Å |
| 170 | A | 97.6 | Very high | 94.2 | Very high | 52 Ų | 52 | 70.9 Ų | 70.9 | 43% | 0.43 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | -28.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | R157 R159 L168 | R157-A170 WeakPolarHBondContact O-CA 3.44Å; R157-A170 WeakPolarHBondContact O-CB 3.5Å; R157-A170 PolarHBondContact O-N 2.78Å; R159-A170 HydrophobicContact CB-CB 4.14Å; R159-A170 HydrophobicContact CG-CB 4.16Å; L168-A170 PolarHBondContact O-N 2.7Å |
| 171 | G | 97.7 | Very high | 93.9 | Very high | 34 Ų | 34 | 72.2 Ų | 72.2 | 35% | 0.351 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 173 | -163.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K156 R157 | K156-G171 WeakPolarHBondContact CA-O 3.32Å; R157-G171 PolarHBondContact N-O 2.99Å; R157-G171 PolarHBondContact O-N 3.42Å |
| 172 | K | 97.4 | Very high | 93.8 | Very high | 160 Ų | 160 | 73.9 Ų | 73.9 | 70% | 0.696 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 154.4 | 165.3 | -170.8 | 179 | 177.8 | -176.6 | 0 | 110.1 | N155 R157 | N155-K172 WeakPolarHBondContact OD1-CG 3.47Å; R157-K172 VanDerWaalsContact CB-O 3.23Å; R157-K172 WeakPolarHBondContact CB-O 3.49Å |
| 173 | A | 96.9 | Very high | 93.8 | Very high | 22 Ų | 22 | 69.9 Ų | 69.9 | 18% | 0.182 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 152.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N155 H223 | N155-A173 PolarHBondContact O-N 2.83Å; N155-A173 WeakPolarHBondContact OD1-CB 3.44Å; A173-H223 VanDerWaalsContact CA-NE2 3.3Å; A173-H223 WeakPolarHBondContact CA-NE2 3.22Å |
| 174 | D | 94.6 | Very high | 93.9 | Very high | 52 Ų | 52 | 62.6 Ų | 62.6 | 28% | 0.278 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 157.2 | 164 | -61.4 | -28.2 | 0 | 0 | 0 | 109.5 | R157 H223 | R157-D174 WeakPolarHBondContact CD-OD1 3.46Å; R157-D174 IonicContact CZ-OD1 3.5Å; R157-D174 IonicContact CZ-OD2 3.95Å; R157-D174 IonicContact NE-OD1 3.63Å; R157-D174 IonicContact NE-OD2 2.79Å; R157-D174 IonicContact NH1-OD1 3.69Å; R157-D174 PolarHBondContact NH1-OD1 2.79Å; R157-D174 IonicContact NH1-OD2 3.09Å; R157-D174 PolarHBondContact NH1-OD2 2.85Å; D174-H223 PolarHBondContact N-NE2 3.05Å; D174-H223 IonicContact OD2-CE1 2.64Å; D174-H223 PolarHBondContact OD2-CE1 3.16Å; D174-H223 VanDerWaalsContact OD2-CE1 3.31Å |
| 175 | P | 92.3 | Very high | 94 | Very high | 105 Ų | 105 | 57.7 Ų | 57.7 | 68% | 0.682 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 143.1 | -173.9 | -28.1 | 36.1 | 0 | 0 | 0 | 114.2 | L177 N220 | P175-L177 PolarHBondContact O-N 3.02Å; P175-N220 PolarHBondContact O-ND2 3.05Å |
| 176 | P | 85.4 | Confident | 94 | Very high | 86 Ų | 86 | 57.8 Ų | 57.8 | 56% | 0.558 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 135.1 | 179.1 | 27.1 | -33.7 | 0 | 0 | 0 | 111.1 | T80 | T80-P176 HydrophobicContact CG2-CB 4.17Å; T80-P176 HydrophobicContact CG2-CG 3.99Å; T80-P176 WeakPolarHBondContact CG2-O 3.5Å |
| 177 | L | 88.4 | Confident | 93.9 | Very high | 32 Ų | 32 | 57.3 Ų | 57.3 | 17% | 0.168 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -84.3 | 162.6 | 177.4 | -62.4 | -179.8 | 0 | 0 | 0 | 111.3 | P175 A179 E210 I218 N220 | P175-L177 PolarHBondContact O-N 3.02Å; L177-A179 PolarHBondContact O-N 3.01Å; L177-E210 HydrophobicContact CD2-CG 3.92Å; L177-I218 HydrophobicContact CD1-CB 4.06Å; L177-I218 HydrophobicContact CD1-CG2 3.58Å; L177-N220 WeakPolarHBondContact CD1-OD1 3.29Å; L177-N220 WeakPolarHBondContact CG-OD1 3.32Å |
| 178 | P | 85.8 | Confident | 93.7 | Very high | 57 Ų | 57 | 58.3 Ų | 58.3 | 37% | 0.37 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 123.3 | 175.1 | -17.1 | 27 | 0 | 0 | 0 | 111.2 | V78 | V78-P178 HydrophobicContact CG1-CB 4.14Å; V78-P178 HydrophobicContact CG1-CG 3.91Å |
| 179 | A | 83.3 | Confident | 93.7 | Very high | 37 Ų | 37 | 56.3 Ų | 56.3 | 31% | 0.306 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 140.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L83 L177 | L83-A179 HydrophobicContact CD1-CB 4.4Å; L83-A179 HydrophobicContact CG-CB 4.24Å; L177-A179 PolarHBondContact O-N 3.01Å |
| 180 | R | 91.6 | Very high | 93.6 | Very high | 68 Ų | 68 | 54.7 Ų | 54.7 | 26% | 0.257 | 33% | 0.326 | S | S | . | . | trans | -131.9 | 125 | 179.6 | -70.9 | -177.2 | 174.2 | -162 | -7.7 | 110.7 | D212 H216 I218 | R180-D212 PolarHBondContact NH1-O 2.82Å; R180-D212 VanDerWaalsContact NH1-O 3.11Å; R180-D212 IonicContact NH1-OD2 2.7Å; R180-D212 PolarHBondContact NH1-OD2 3.43Å; R180-D212 VanDerWaalsContact NH1-OD2 3.09Å; R180-D212 PolarHBondContact NH2-O 3.41Å; R180-H216 WeakPolarHBondContact CD-O 3.4Å; R180-H216 PolarHBondContact NH1-O 3.4Å; R180-I218 VanDerWaalsContact CZ-CD1 3.49Å | ||
| 181 | L | 92.3 | Very high | 93.5 | Very high | 48 Ų | 48 | 52.2 Ų | 52.2 | 25% | 0.251 | 31% | 0.305 | S | S | . | . | trans | -87 | 129.7 | 170.2 | -57.8 | -176.8 | 0 | 0 | 0 | 109.3 | L83 I84 L147 D149 L244 | L83-L181 HydrophobicContact CB-CD1 4.18Å; L83-L181 HydrophobicContact CB-CD2 4.21Å; L83-L181 HydrophobicContact CB-CG 4.17Å; L83-L181 HydrophobicContact CD1-CD1 4.44Å; L83-L181 HydrophobicContact CD1-CG 3.98Å; I84-L181 HydrophobicContact CD1-CD1 4.45Å; I84-L181 HydrophobicContact CD1-CD2 4.15Å; I84-L181 HydrophobicContact CG1-CD2 4.37Å; L147-L181 HydrophobicContact CD1-CB 4.32Å; L147-L181 HydrophobicContact CD1-CD1 4.41Å; L147-L181 HydrophobicContact CD1-CD2 4.11Å; L147-L181 HydrophobicContact CD2-CD1 4.38Å; D149-L181 HydrophobicContact CB-CD2 3.67Å; L181-L244 HydrophobicContact CD1-CD2 4.06Å | ||
| 182 | Y | 95.9 | Very high | 93.4 | Very high | 43 Ų | 43 | 54.7 Ų | 54.7 | 17% | 0.169 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 101.4 | 169 | -177.7 | -91.7 | 0 | 0 | 0 | 109.7 | L147 M148 F201 K203 V204 | L147-Y182 CarbonylContact C-O 3.59Å; L147-Y182 WeakPolarHBondContact CA-O 3.29Å; L147-Y182 WeakPolarHBondContact CB-O 3.09Å; M148-Y182 PolarHBondContact N-O 2.96Å; M148-Y182 PolarHBondContact O-N 2.92Å; Y182-F201 AromaticContact CD1-CD1 3.81Å; Y182-F201 HydrophobicContact CD1-CD1 3.81Å; Y182-F201 HydrophobicContact CD1-CE1 4.17Å; Y182-F201 HydrophobicContact CE1-CD1 4Å; Y182-K203 WeakPolarHBondContact OH-CB 3.34Å; Y182-V204 HydrophobicContact CD1-CG2 3.38Å; Y182-V204 HydrophobicContact CD2-CG2 4.05Å; Y182-V204 HydrophobicContact CE1-CG2 3.55Å; Y182-V204 HydrophobicContact CE2-CG2 4.2Å; Y182-V204 HydrophobicContact CG-CG2 3.65Å |
| 183 | V | 95.9 | Very high | 93.4 | Very high | 49 Ų | 49 | 50.9 Ų | 50.9 | 30% | 0.297 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 131.1 | 170.8 | -177.3 | 0 | 0 | 0 | 0 | 109 | I145 L147 L241 | I145-V183 HydrophobicContact CG2-CG1 3.89Å; L147-V183 HydrophobicContact CB-CB 4.38Å; L147-V183 HydrophobicContact CB-CG2 4.14Å; L147-V183 HydrophobicContact CD2-CG2 4.24Å; V183-L241 HydrophobicContact CG2-CD1 4.04Å |
| 184 | H | 97.1 | Very high | 93.4 | Very high | 8 Ų | 8 | 49.9 Ų | 49.9 | 4% | 0.037 | 28% | 0.284 | C | S | . | . | trans | -63.9 | 127.6 | 175.7 | -171.1 | -87.9 | 0 | 0 | 0 | 109 | V146 D186 S187 F189 V199 S200 F201 | V146-H184 WeakPolarHBondContact O-CB 3.4Å; V146-H184 PolarHBondContact O-N 2.83Å; H184-D186 IonicContact CE1-OD2 2.96Å; H184-D186 PolarHBondContact CE1-OD2 3.2Å; H184-D186 PolarHBondContact ND1-N 2.84Å; H184-D186 IonicContact ND1-OD2 3.64Å; H184-D186 PolarHBondContact O-N 2.85Å; H184-S187 WeakPolarHBondContact O-CB 3.36Å; H184-S187 PolarHBondContact O-N 2.91Å; H184-S187 PolarHBondContact O-OG 2.89Å; H184-F189 HydrophobicContact CB-CE2 4.37Å; H184-F189 AromaticContact CE1-CZ 3.69Å; H184-F189 AromaticContact ND1-CE2 3.66Å; H184-F189 AromaticContact ND1-CZ 3.32Å; H184-F189 VanDerWaalsContact ND1-CZ 3.32Å; H184-F189 WeakPolarHBondContact ND1-CZ 3.32Å; H184-V199 HydrophobicContact CB-CG1 4.34Å; H184-V199 WeakPolarHBondContact CD2-CG1 3.21Å; H184-S200 PolarHBondContact NE2-O 3.21Å; H184-F201 HydrophobicContact CB-CE1 4.2Å | ||
| 185 | P | 96.1 | Very high | 93.5 | Very high | 66 Ų | 66 | 51.6 Ų | 51.6 | 43% | 0.429 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -21.5 | -166.2 | 23.1 | -33.9 | 0 | 0 | 0 | 114 | S187 K203 | P185-S187 VanDerWaalsContact C-N 3.28Å; P185-K203 HydrophobicContact CG-CD 3.64Å |
| 186 | D | 95.8 | Very high | 93.7 | Very high | 88 Ų | 88 | 53.6 Ų | 53.6 | 47% | 0.471 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 8.4 | -179.6 | -42.1 | -19.4 | 0 | 0 | 0 | 111.5 | H184 F189 K203 | H184-D186 IonicContact CE1-OD2 2.96Å; H184-D186 PolarHBondContact CE1-OD2 3.2Å; H184-D186 PolarHBondContact ND1-N 2.84Å; H184-D186 IonicContact ND1-OD2 3.64Å; H184-D186 PolarHBondContact O-N 2.85Å; D186-F189 HydrophobicContact CB-CE1 4.08Å; D186-F189 HydrophobicContact CB-CZ 4.04Å; D186-K203 IonicContact OD1-NZ 2.8Å; D186-K203 PolarHBondContact OD1-NZ 2.78Å |
| 187 | S | 93.8 | Very high | 94.2 | Very high | 26 Ų | 26 | 54.5 Ų | 54.5 | 18% | 0.182 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -77.2 | 148 | 172.2 | -61.5 | 0 | 0 | 0 | 0 | 112 | V146 H184 P185 | V146-S187 PolarHBondContact N-OG 2.95Å; V146-S187 PolarHBondContact O-OG 2.93Å; H184-S187 WeakPolarHBondContact O-CB 3.36Å; H184-S187 PolarHBondContact O-N 2.91Å; H184-S187 PolarHBondContact O-OG 2.89Å; P185-S187 VanDerWaalsContact C-N 3.28Å |
| 188 | P | 94.8 | Very high | 94.6 | Very high | 69 Ų | 69 | 57.3 Ų | 57.3 | 45% | 0.448 | 30% | 0.299 | S | S | . | . | S | Bend | cis | -80.7 | 136.9 | 0.3 | 32.2 | -34.4 | 0 | 0 | 0 | 112.6 | Y144 I145 | Y144-P188 CarbonylContact O-C 3.55Å; Y144-P188 VanDerWaalsContact O-CA 3.27Å; Y144-P188 WeakPolarHBondContact O-CA 3.29Å; I145-P188 HydrophobicContact CG1-CB 4.26Å |
| 189 | F | 96 | Very high | 95.2 | Very high | 6 Ų | 6 | 54.7 Ų | 54.7 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 159.4 | 170.9 | -63.1 | -85.2 | 0 | 0 | 0 | 111 | K143 Y144 V146 H184 D186 Q193 L194 V199 | K143-F189 CarbonylContact C-O 3.49Å; K143-F189 VanDerWaalsContact CA-O 3.26Å; K143-F189 WeakPolarHBondContact CA-O 3.43Å; Y144-F189 PolarHBondContact N-O 2.81Å; Y144-F189 PolarHBondContact O-N 3.36Å; V146-F189 HydrophobicContact CB-CD2 4.28Å; V146-F189 HydrophobicContact CB-CE2 4.11Å; V146-F189 HydrophobicContact CG2-CD2 4.02Å; V146-F189 HydrophobicContact CG2-CE2 4.27Å; H184-F189 HydrophobicContact CB-CE2 4.37Å; H184-F189 AromaticContact CE1-CZ 3.69Å; H184-F189 AromaticContact ND1-CE2 3.66Å; H184-F189 AromaticContact ND1-CZ 3.32Å; H184-F189 VanDerWaalsContact ND1-CZ 3.32Å; H184-F189 WeakPolarHBondContact ND1-CZ 3.32Å; D186-F189 HydrophobicContact CB-CE1 4.08Å; D186-F189 HydrophobicContact CB-CZ 4.04Å; F189-Q193 HydrophobicContact CD1-CB 4.39Å; F189-L194 HydrophobicContact CB-CD1 4.28Å; F189-L194 HydrophobicContact CB-CD2 3.8Å; F189-L194 HydrophobicContact CB-CG 3.74Å; F189-L194 HydrophobicContact CD1-CD2 4.16Å; F189-L194 HydrophobicContact CD2-CD2 3.74Å; F189-L194 HydrophobicContact CE2-CD2 4.25Å; F189-L194 HydrophobicContact CG-CD2 3.66Å; F189-L194 HydrophobicContact CG-CG 4.18Å; F189-V199 HydrophobicContact CE2-CG1 4.31Å; F189-V199 HydrophobicContact CE2-CG2 4.15Å; F189-V199 HydrophobicContact CZ-CG1 4.22Å; F189-V199 HydrophobicContact CZ-CG2 4.01Å |
| 190 | T | 96.1 | Very high | 95.9 | Very high | 41 Ų | 41 | 53.7 Ų | 53.7 | 25% | 0.252 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 157.6 | 156.9 | 64.9 | 0 | 0 | 0 | 0 | 110.5 | S142 E192 Q193 L194 | S142-T190 CarbonylContact O-C 3.48Å; S142-T190 WeakPolarHBondContact O-CA 3.46Å; T190-E192 PolarHBondContact O-N 3.19Å; T190-Q193 WeakPolarHBondContact O-CB 3.21Å; T190-Q193 PolarHBondContact O-N 3.03Å; T190-Q193 WeakPolarHBondContact OG1-CG 3.32Å; T190-Q193 PolarHBondContact OG1-N 2.96Å; T190-Q193 VanDerWaalsContact OG1-N 3.14Å; T190-L194 PolarHBondContact O-N 3.38Å; T190-L194 VanDerWaalsContact O-N 3.1Å |
| 191 | G | 95.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.8 | -37.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V138 D139 Q140 S142 Q193 L194 M195 | V138-G191 WeakPolarHBondContact CG2-O 3.33Å; D139-G191 WeakPolarHBondContact O-CA 3.42Å; Q140-G191 PolarHBondContact O-N 2.93Å; S142-G191 PolarHBondContact O-N 3.2Å; G191-Q193 VanDerWaalsContact C-N 3.3Å; G191-Q193 PolarHBondContact O-N 3.44Å; G191-L194 PolarHBondContact O-N 2.93Å; G191-L194 VanDerWaalsContact O-N 3.14Å; G191-M195 WeakPolarHBondContact O-CG 3.17Å; G191-M195 PolarHBondContact O-N 2.97Å |
| 192 | E | 96.9 | Very high | 96.5 | Very high | 85 Ų | 85 | 51.4 Ų | 51.4 | 40% | 0.397 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -58.8 | -38.4 | 174.6 | -155.7 | -139.5 | -159.1 | 0 | 0 | 112.7 | Q140 T190 K196 | Q140-E192 HydrophobicContact CB-CB 4.29Å; Q140-E192 PolarHBondContact O-N 3.33Å; Q140-E192 VanDerWaalsContact O-N 3.12Å; T190-E192 PolarHBondContact O-N 3.19Å; E192-K196 VanDerWaalsContact CD-CE 3.47Å; E192-K196 WeakPolarHBondContact O-CD 3.45Å; E192-K196 VanDerWaalsContact O-CG 3.26Å; E192-K196 WeakPolarHBondContact O-CG 3.32Å; E192-K196 PolarHBondContact O-N 3.21Å; E192-K196 WeakPolarHBondContact OE1-CE 3.27Å; E192-K196 IonicContact OE1-NZ 3.46Å; E192-K196 PolarHBondContact OE1-NZ 2.96Å; E192-K196 IonicContact OE2-NZ 3.21Å; E192-K196 PolarHBondContact OE2-NZ 3.23Å |
| 193 | Q | 97.2 | Very high | 96.5 | Very high | 80 Ų | 80 | 53.9 Ų | 53.9 | 37% | 0.374 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67 | -46 | 172.8 | -74.2 | 168.5 | -19 | 0 | 0 | 111.8 | F189 T190 G191 M195 K196 Q197 | F189-Q193 HydrophobicContact CD1-CB 4.39Å; T190-Q193 WeakPolarHBondContact O-CB 3.21Å; T190-Q193 PolarHBondContact O-N 3.03Å; T190-Q193 WeakPolarHBondContact OG1-CG 3.32Å; T190-Q193 PolarHBondContact OG1-N 2.96Å; T190-Q193 VanDerWaalsContact OG1-N 3.14Å; G191-Q193 VanDerWaalsContact C-N 3.3Å; G191-Q193 PolarHBondContact O-N 3.44Å; Q193-M195 PolarHBondContact O-N 3.02Å; Q193-K196 PolarHBondContact O-N 3.16Å; Q193-Q197 PolarHBondContact O-N 3.06Å |
| 194 | L | 97.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.8 | -27.3 | -179.1 | -69.9 | -178.1 | 0 | 0 | 0 | 113.7 | F135 V138 Y144 V146 F189 T190 G191 V199 I231 | F135-L194 HydrophobicContact CB-CB 4.28Å; F135-L194 HydrophobicContact CD2-CD2 4.09Å; F135-L194 HydrophobicContact CE2-CD2 4.47Å; V138-L194 HydrophobicContact CG1-CD1 4.49Å; V138-L194 HydrophobicContact CG2-CB 4.34Å; Y144-L194 HydrophobicContact CD2-CD1 4.04Å; Y144-L194 HydrophobicContact CG-CD1 4.07Å; V146-L194 HydrophobicContact CG2-CD1 4.11Å; V146-L194 HydrophobicContact CG2-CD2 4Å; F189-L194 HydrophobicContact CB-CD1 4.28Å; F189-L194 HydrophobicContact CB-CD2 3.8Å; F189-L194 HydrophobicContact CB-CG 3.74Å; F189-L194 HydrophobicContact CD1-CD2 4.16Å; F189-L194 HydrophobicContact CD2-CD2 3.74Å; F189-L194 HydrophobicContact CE2-CD2 4.25Å; F189-L194 HydrophobicContact CG-CD2 3.66Å; F189-L194 HydrophobicContact CG-CG 4.18Å; T190-L194 PolarHBondContact O-N 3.38Å; T190-L194 VanDerWaalsContact O-N 3.1Å; G191-L194 PolarHBondContact O-N 2.93Å; G191-L194 VanDerWaalsContact O-N 3.14Å; L194-V199 HydrophobicContact CD2-CG2 3.61Å; L194-I231 HydrophobicContact CD1-CD1 3.64Å |
| 195 | M | 96.1 | Very high | 96.7 | Very high | 89 Ų | 89 | 54.6 Ų | 54.6 | 44% | 0.438 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -79.9 | -20.6 | 172.6 | -68.2 | -175.6 | 65.5 | 0 | 0 | 113.7 | V138 Q140 G191 Q193 | V138-M195 HydrophobicContact CG2-CG 3.51Å; V138-M195 HydrophobicContact CG2-SD 4.03Å; Q140-M195 HydrophobicContact CG-SD 3.8Å; G191-M195 WeakPolarHBondContact O-CG 3.17Å; G191-M195 PolarHBondContact O-N 2.97Å; Q193-M195 PolarHBondContact O-N 3.02Å |
| 196 | K | 96.3 | Very high | 96.8 | Very high | 146 Ų | 146 | 51.4 Ų | 51.4 | 64% | 0.635 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -93.4 | -22.9 | -176.4 | -76.4 | 174.1 | -178.2 | 175.9 | 0 | 114.3 | E192 Q193 | E192-K196 VanDerWaalsContact CD-CE 3.47Å; E192-K196 WeakPolarHBondContact O-CD 3.45Å; E192-K196 VanDerWaalsContact O-CG 3.26Å; E192-K196 WeakPolarHBondContact O-CG 3.32Å; E192-K196 PolarHBondContact O-N 3.21Å; E192-K196 WeakPolarHBondContact OE1-CE 3.27Å; E192-K196 IonicContact OE1-NZ 3.46Å; E192-K196 PolarHBondContact OE1-NZ 2.96Å; E192-K196 IonicContact OE2-NZ 3.21Å; E192-K196 PolarHBondContact OE2-NZ 3.23Å; Q193-K196 PolarHBondContact O-N 3.16Å |
| 197 | Q | 95.2 | Very high | 96.9 | Very high | 106 Ų | 106 | 47.2 Ų | 47.2 | 50% | 0.495 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -146.5 | 148.5 | -175.6 | 70.8 | -174.1 | -0.4 | 0 | 0 | 113.4 | Q193 | Q193-Q197 PolarHBondContact O-N 3.06Š|
| 198 | M | 97.4 | Very high | 97.1 | Very high | 90 Ų | 90 | 49.4 Ų | 49.4 | 44% | 0.443 | 24% | 0.241 | S | C | . | . | trans | -66.8 | 142 | 167.6 | 53.5 | 155.7 | 163.5 | 0 | 0 | 111.9 | E103 R132 V133 | E103-M198 HydrophobicContact CG-CB 4.13Å; E103-M198 HydrophobicContact CG-SD 4.47Å; R132-M198 HydrophobicContact CB-SD 4.09Å; R132-M198 HydrophobicContact CG-SD 4.2Å; V133-M198 CarbonylContact O-C 3.6Å; V133-M198 VanDerWaalsContact O-CA 3.22Å; V133-M198 WeakPolarHBondContact O-CA 3.33Å; V133-M198 WeakPolarHBondContact O-CB 3.21Å | ||
| 199 | V | 98.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 133.2 | 170.1 | -178 | 0 | 0 | 0 | 0 | 109.1 | R132 V133 F135 V146 H184 F189 L194 F201 | R132-V199 WeakPolarHBondContact CA-O 3.49Å; V133-V199 HydrophobicContact CG2-CB 4.17Å; V133-V199 PolarHBondContact N-O 3.11Å; V133-V199 PolarHBondContact O-N 2.97Å; F135-V199 HydrophobicContact CD2-CG2 4.24Å; F135-V199 HydrophobicContact CE2-CB 4.4Å; F135-V199 HydrophobicContact CE2-CG2 3.96Å; V146-V199 HydrophobicContact CG1-CG1 4.05Å; H184-V199 HydrophobicContact CB-CG1 4.34Å; H184-V199 WeakPolarHBondContact CD2-CG1 3.21Å; F189-V199 HydrophobicContact CE2-CG1 4.31Å; F189-V199 HydrophobicContact CE2-CG2 4.15Å; F189-V199 HydrophobicContact CZ-CG1 4.22Å; F189-V199 HydrophobicContact CZ-CG2 4.01Å; L194-V199 HydrophobicContact CD2-CG2 3.61Å; V199-F201 HydrophobicContact CG1-CE2 4.35Å; V199-F201 HydrophobicContact CG1-CZ 4.38Å |
| 200 | S | 98.4 | Very high | 97.1 | Very high | 16 Ų | 16 | 53.9 Ų | 53.9 | 11% | 0.112 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 109.9 | -170.6 | 179.4 | 0 | 0 | 0 | 0 | 112.8 | R132 H184 E202 | R132-S200 PolarHBondContact NH1-OG 2.99Å; R132-S200 VanDerWaalsContact NH1-OG 3.16Å; R132-S200 PolarHBondContact NH2-OG 2.74Å; H184-S200 PolarHBondContact NE2-O 3.21Å; S200-E202 PolarHBondContact O-N 2.8Å; S200-E202 WeakPolarHBondContact OG-CG 3.46Å; S200-E202 PolarHBondContact OG-OE2 3.12Å |
| 201 | F | 98.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -78.6 | 27.9 | 177.5 | -66.2 | -78.3 | 0 | 0 | 0 | 113.6 | I131 V133 V146 M148 Y182 H184 V199 K203 V204 V229 | I131-F201 HydrophobicContact CB-CB 4.44Å; I131-F201 HydrophobicContact CB-CD2 4.34Å; I131-F201 HydrophobicContact CG2-CD2 3.99Å; I131-F201 WeakPolarHBondContact O-CB 3.35Å; I131-F201 PolarHBondContact O-N 2.83Å; V133-F201 HydrophobicContact CG2-CE2 4.3Å; V146-F201 HydrophobicContact CG1-CZ 3.94Å; M148-F201 HydrophobicContact CB-CD1 3.87Å; M148-F201 HydrophobicContact CB-CE1 3.57Å; M148-F201 HydrophobicContact CB-CE2 4.43Å; M148-F201 HydrophobicContact CB-CG 4.42Å; M148-F201 HydrophobicContact CB-CZ 3.86Å; M148-F201 HydrophobicContact SD-CB 4.25Å; M148-F201 HydrophobicContact SD-CD1 4.3Å; M148-F201 HydrophobicContact SD-CD2 4.3Å; M148-F201 HydrophobicContact SD-CG 4.02Å; Y182-F201 AromaticContact CD1-CD1 3.81Å; Y182-F201 HydrophobicContact CD1-CD1 3.81Å; Y182-F201 HydrophobicContact CD1-CE1 4.17Å; Y182-F201 HydrophobicContact CE1-CD1 4Å; H184-F201 HydrophobicContact CB-CE1 4.2Å; V199-F201 HydrophobicContact CG1-CE2 4.35Å; V199-F201 HydrophobicContact CG1-CZ 4.38Å; F201-K203 PolarHBondContact O-N 2.93Å; F201-V204 HydrophobicContact CB-CG2 3.82Å; F201-V204 HydrophobicContact CD1-CG2 4.12Å; F201-V204 HydrophobicContact CG-CG2 4.45Å; F201-V204 VanDerWaalsContact O-CB 3.28Å; F201-V204 WeakPolarHBondContact O-CB 3.32Å; F201-V204 WeakPolarHBondContact O-CG2 3.41Å; F201-V204 PolarHBondContact O-N 3.32Å; F201-V229 HydrophobicContact CE2-CG1 4.08Å; F201-V229 HydrophobicContact CE2-CG2 3.97Å; F201-V229 HydrophobicContact CZ-CG1 4.21Å |
| 202 | E | 97.6 | Very high | 96.9 | Very high | 68 Ų | 68 | 59 Ų | 59 | 32% | 0.318 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -64.1 | -21.5 | -178.2 | 61.6 | 178 | -110.8 | 0 | 0 | 114.8 | R126 T130 R132 S200 V204 | R126-E202 WeakPolarHBondContact CD-O 3.44Å; R126-E202 PolarHBondContact NE-O 3.04Å; T130-E202 HydrophobicContact CG2-CB 3.81Å; R132-E202 IonicContact CZ-OE2 3.58Å; R132-E202 IonicContact NH1-OE2 2.73Å; R132-E202 IonicContact NH2-OE2 3.68Å; R132-E202 PolarHBondContact NH2-OE2 3.32Å; S200-E202 PolarHBondContact O-N 2.8Å; S200-E202 WeakPolarHBondContact OG-CG 3.46Å; S200-E202 PolarHBondContact OG-OE2 3.12Å; E202-V204 VanDerWaalsContact C-N 3.34Å |
| 203 | K | 97.2 | Very high | 96.7 | Very high | 94 Ų | 94 | 63.8 Ų | 63.8 | 41% | 0.409 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -82 | -12.6 | 176.9 | -68.5 | 164.8 | -173.4 | 164.8 | 0 | 112.1 | Y182 P185 D186 F201 | Y182-K203 WeakPolarHBondContact OH-CB 3.34Å; P185-K203 HydrophobicContact CG-CD 3.64Å; D186-K203 IonicContact OD1-NZ 2.8Å; D186-K203 PolarHBondContact OD1-NZ 2.78Å; F201-K203 PolarHBondContact O-N 2.93Å |
| 204 | V | 98.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | trans | -62.1 | 140.7 | 175.4 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | R126 M127 M148 Y182 F201 E202 L206 I217 | R126-V204 WeakPolarHBondContact CA-O 3.19Å; M127-V204 HydrophobicContact CE-CB 4.31Å; M127-V204 HydrophobicContact CE-CG1 4.22Å; M127-V204 HydrophobicContact SD-CG1 4.38Å; M148-V204 HydrophobicContact CE-CG1 3.94Å; M148-V204 HydrophobicContact CE-CG2 4.02Å; Y182-V204 HydrophobicContact CD1-CG2 3.38Å; Y182-V204 HydrophobicContact CD2-CG2 4.05Å; Y182-V204 HydrophobicContact CE1-CG2 3.55Å; Y182-V204 HydrophobicContact CE2-CG2 4.2Å; Y182-V204 HydrophobicContact CG-CG2 3.65Å; F201-V204 HydrophobicContact CB-CG2 3.82Å; F201-V204 HydrophobicContact CD1-CG2 4.12Å; F201-V204 HydrophobicContact CG-CG2 4.45Å; F201-V204 VanDerWaalsContact O-CB 3.28Å; F201-V204 WeakPolarHBondContact O-CB 3.32Å; F201-V204 WeakPolarHBondContact O-CG2 3.41Å; F201-V204 PolarHBondContact O-N 3.32Å; E202-V204 VanDerWaalsContact C-N 3.34Å; V204-L206 HydrophobicContact CG1-CD2 4.22Å; V204-I217 HydrophobicContact CG1-CD1 3.92Å | ||
| 205 | K | 98.2 | Very high | 96.3 | Very high | 71 Ų | 71 | 68.9 Ų | 68.9 | 31% | 0.309 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 141.8 | 173.1 | -78.9 | 172.1 | 158.7 | -161.5 | 0 | 111.2 | S123 G124 R125 R126 H216 I217 | S123-K205 PolarHBondContact O-NZ 3.19Å; G124-K205 WeakPolarHBondContact O-CD 3.47Å; G124-K205 VanDerWaalsContact O-CE 3.26Å; G124-K205 WeakPolarHBondContact O-CE 3.37Å; R125-K205 CarbonylContact O-C 3.6Å; R125-K205 VanDerWaalsContact O-CA 3.28Å; R125-K205 WeakPolarHBondContact O-CA 3.44Å; R126-K205 HydrophobicContact CG-CG 4.3Å; K205-H216 HydrophobicContact CB-CB 4.44Å; K205-H216 VanDerWaalsContact CD-CD2 3.43Å; K205-H216 WeakPolarHBondContact CD-CD2 3.48Å; K205-H216 WeakPolarHBondContact CD-NE2 3.39Å; K205-H216 PolarHBondContact NZ-NE2 3.2Å; K205-I217 PolarHBondContact O-N 3.27Å |
| 206 | L | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 133.6 | 175.9 | -48.6 | -176.3 | 0 | 0 | 0 | 110.1 | M118 I120 G124 R125 M127 I150 V204 I217 L219 F259 | M118-L206 HydrophobicContact CB-CD1 3.92Å; M118-L206 HydrophobicContact CG-CD1 4.41Å; I120-L206 HydrophobicContact CG2-CB 3.78Å; I120-L206 HydrophobicContact CG2-CD1 4.48Å; G124-L206 WeakPolarHBondContact CA-O 3.45Å; R125-L206 PolarHBondContact N-O 2.84Å; R125-L206 PolarHBondContact O-N 2.84Å; M127-L206 HydrophobicContact CG-CD1 3.89Å; M127-L206 HydrophobicContact CG-CD2 4.27Å; M127-L206 HydrophobicContact CG-CG 3.97Å; M127-L206 HydrophobicContact SD-CD1 4.35Å; M127-L206 HydrophobicContact SD-CD2 4.29Å; I150-L206 HydrophobicContact CD1-CD2 3.56Å; V204-L206 HydrophobicContact CG1-CD2 4.22Å; L206-I217 CarbonylContact C-O 3.51Å; L206-I217 WeakPolarHBondContact CA-O 3.11Å; L206-I217 HydrophobicContact CD2-CB 4.12Å; L206-L219 HydrophobicContact CB-CD1 4.24Å; L206-L219 HydrophobicContact CD1-CD1 3.92Å; L206-L219 HydrophobicContact CD2-CD1 4.04Å; L206-L219 HydrophobicContact CG-CD1 4.28Å; L206-F259 HydrophobicContact CD1-CE2 3.97Å; L206-F259 HydrophobicContact CD1-CZ 3.82Å |
| 207 | T | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 155.8 | -178.5 | -174.6 | 0 | 0 | 0 | 0 | 112.1 | T121 K122 N209 D212 H216 I217 I218 L219 | T121-T207 VanDerWaalsContact O-CA 3.32Å; T121-T207 WeakPolarHBondContact O-CA 3.43Å; T121-T207 WeakPolarHBondContact O-CB 3.4Å; T121-T207 PolarHBondContact O-OG1 2.85Å; K122-T207 PolarHBondContact O-OG1 3.07Å; T207-N209 WeakPolarHBondContact OG1-CB 3.49Å; T207-N209 PolarHBondContact OG1-N 3.2Å; T207-D212 HydrophobicContact CG2-CB 3.95Å; T207-H216 HydrophobicContact CG2-CB 3.67Å; T207-I217 PolarHBondContact N-O 2.95Å; T207-I218 HydrophobicContact CG2-CB 4.2Å; T207-I218 HydrophobicContact CG2-CG1 3.87Å; T207-I218 HydrophobicContact CG2-CG2 4.18Å; T207-I218 CarbonylContact O-C 3.55Å; T207-I218 WeakPolarHBondContact O-CA 3.38Å; T207-L219 PolarHBondContact O-N 3.15Å |
| 208 | N | 97.1 | Very high | 96.4 | Very high | 72 Ų | 72 | 54.5 Ų | 54.5 | 39% | 0.385 | 28% | 0.275 | S | S | . | . | trans | -104.6 | 13.1 | 167.6 | 71.3 | -50.7 | 0 | 0 | 0 | 112.3 | I120 T121 K122 | I120-N208 HydrophobicContact CD1-CB 3.71Å; I120-N208 HydrophobicContact CG1-CB 3.98Å; T121-N208 VanDerWaalsContact C-OD1 3.25Å; K122-N208 PolarHBondContact N-OD1 3.02Å; K122-N208 VanDerWaalsContact N-OD1 3.08Å | ||
| 209 | N | 96.6 | Very high | 96.4 | Very high | 39 Ų | 39 | 50.4 Ų | 50.4 | 21% | 0.209 | 26% | 0.255 | C | S | . | . | trans | -90.7 | 101.6 | 176.9 | -177.8 | 29.3 | 0 | 0 | 0 | 110.2 | K122 T207 L211 D212 I218 | K122-N209 HydrophobicContact CG-CB 4.13Å; T207-N209 WeakPolarHBondContact OG1-CB 3.49Å; T207-N209 PolarHBondContact OG1-N 3.2Å; N209-L211 PolarHBondContact O-N 3.02Å; N209-L211 VanDerWaalsContact O-N 3.14Å; N209-L211 PolarHBondContact OD1-N 3.08Å; N209-D212 HydrophobicContact CB-CB 4.26Å; N209-D212 WeakPolarHBondContact ND2-CA 3.49Å; N209-D212 PolarHBondContact ND2-N 3.48Å; N209-D212 VanDerWaalsContact O-CB 3.32Å; N209-D212 WeakPolarHBondContact O-CB 3.43Å; N209-D212 PolarHBondContact O-N 2.89Å; N209-I218 WeakPolarHBondContact O-CD1 3.33Å; N209-I218 WeakPolarHBondContact O-CG2 3.39Å | ||
| 210 | E | 93.9 | Very high | 96.4 | Very high | 130 Ų | 130 | 51.3 Ų | 51.3 | 61% | 0.607 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -29.6 | 175.8 | -61.6 | 178.7 | -164.5 | 0 | 0 | 112.8 | L177 I218 | L177-E210 HydrophobicContact CD2-CG 3.92Å; E210-I218 WeakPolarHBondContact O-CD1 3.5Å |
| 211 | L | 92.9 | Very high | 96.4 | Very high | 144 Ų | 144 | 52 Ų | 52 | 75% | 0.754 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 30.6 | 179.8 | -53.8 | 179.6 | 0 | 0 | 0 | 112.6 | N209 Q213 | N209-L211 PolarHBondContact O-N 3.02Å; N209-L211 VanDerWaalsContact O-N 3.14Å; N209-L211 PolarHBondContact OD1-N 3.08Å; L211-Q213 PolarHBondContact O-N 3.18Å |
| 212 | D | 94.4 | Very high | 96.4 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | trans | -70.1 | 120.4 | 178.2 | 179 | 81.8 | 0 | 0 | 0 | 112.6 | R180 T207 N209 H214 G215 H216 I218 | R180-D212 PolarHBondContact NH1-O 2.82Å; R180-D212 VanDerWaalsContact NH1-O 3.11Å; R180-D212 IonicContact NH1-OD2 2.7Å; R180-D212 PolarHBondContact NH1-OD2 3.43Å; R180-D212 VanDerWaalsContact NH1-OD2 3.09Å; R180-D212 PolarHBondContact NH2-O 3.41Å; T207-D212 HydrophobicContact CG2-CB 3.95Å; N209-D212 HydrophobicContact CB-CB 4.26Å; N209-D212 WeakPolarHBondContact ND2-CA 3.49Å; N209-D212 PolarHBondContact ND2-N 3.48Å; N209-D212 VanDerWaalsContact O-CB 3.32Å; N209-D212 WeakPolarHBondContact O-CB 3.43Å; N209-D212 PolarHBondContact O-N 2.89Å; D212-H214 IonicContact OD1-CE1 3.88Å; D212-H214 IonicContact OD1-CG 3.69Å; D212-H214 IonicContact OD1-ND1 2.82Å; D212-H214 PolarHBondContact OD1-ND1 3.02Å; D212-H214 PolarHBondContact OD2-N 2.81Å; D212-G215 PolarHBondContact OD2-N 2.98Å; D212-H216 IonicContact OD1-CE1 3.63Å; D212-H216 IonicContact OD1-CG 3.21Å; D212-H216 IonicContact OD1-ND1 3.42Å; D212-H216 PolarHBondContact OD1-ND1 2.79Å; D212-H216 WeakPolarHBondContact OD2-CB 3.38Å; D212-H216 IonicContact OD2-CG 3.66Å; D212-H216 PolarHBondContact OD2-N 2.85Å; D212-H216 IonicContact OD2-ND1 3.91Å; D212-I218 HydrophobicContact CB-CD1 4.38Å; D212-I218 HydrophobicContact CB-CG1 4.43Å | ||
| 213 | Q | 93.9 | Very high | 96.5 | Very high | 187 Ų | 187 | 50.6 Ų | 50.6 | 87% | 0.874 | 26% | 0.258 | S | S | * | . | trans | -93.5 | 0.2 | 179.9 | -64.9 | 177.3 | -12.7 | 0 | 0 | 113.9 | L211 | L211-Q213 PolarHBondContact O-N 3.18Š| ||
| 214 | H | 93.2 | Very high | 96.5 | Very high | 141 Ų | 141 | 48.9 Ų | 48.9 | 65% | 0.653 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -95.3 | 1.5 | -172.8 | -48.6 | 96.5 | 0 | 0 | 0 | 113.7 | D212 H216 | D212-H214 IonicContact OD1-CE1 3.88Å; D212-H214 IonicContact OD1-CG 3.69Å; D212-H214 IonicContact OD1-ND1 2.82Å; D212-H214 PolarHBondContact OD1-ND1 3.02Å; D212-H214 PolarHBondContact OD2-N 2.81Å; H214-H216 VanDerWaalsContact C-N 3.29Å; H214-H216 WeakPolarHBondContact CB-CE1 3.45Å; H214-H216 AromaticContact CG-CE1 3.62Å; H214-H216 AromaticContact ND1-CE1 3.64Å; H214-H216 AromaticContact ND1-ND1 3.82Å; H214-H216 PolarHBondContact O-N 3.48Å |
| 215 | G | 91.7 | Very high | 96.5 | Very high | 46 Ų | 46 | 49.6 Ų | 49.6 | 47% | 0.474 | 25% | 0.254 | S | S | . | . | trans | 72.3 | 17.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | D212 | D212-G215 PolarHBondContact OD2-N 2.98Š| ||
| 216 | H | 96.5 | Very high | 96.5 | Very high | 23 Ų | 23 | 47.3 Ų | 47.3 | 11% | 0.106 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -65.3 | 150.9 | 172.1 | -56.8 | 138.4 | 0 | 0 | 0 | 110.4 | S123 R180 K205 T207 D212 H214 I218 | S123-H216 PolarHBondContact O-CE1 3.06Å; R180-H216 WeakPolarHBondContact CD-O 3.4Å; R180-H216 PolarHBondContact NH1-O 3.4Å; K205-H216 HydrophobicContact CB-CB 4.44Å; K205-H216 VanDerWaalsContact CD-CD2 3.43Å; K205-H216 WeakPolarHBondContact CD-CD2 3.48Å; K205-H216 WeakPolarHBondContact CD-NE2 3.39Å; K205-H216 PolarHBondContact NZ-NE2 3.2Å; T207-H216 HydrophobicContact CG2-CB 3.67Å; D212-H216 IonicContact OD1-CE1 3.63Å; D212-H216 IonicContact OD1-CG 3.21Å; D212-H216 IonicContact OD1-ND1 3.42Å; D212-H216 PolarHBondContact OD1-ND1 2.79Å; D212-H216 WeakPolarHBondContact OD2-CB 3.38Å; D212-H216 IonicContact OD2-CG 3.66Å; D212-H216 PolarHBondContact OD2-N 2.85Å; D212-H216 IonicContact OD2-ND1 3.91Å; H214-H216 VanDerWaalsContact C-N 3.29Å; H214-H216 WeakPolarHBondContact CB-CE1 3.45Å; H214-H216 AromaticContact CG-CE1 3.62Å; H214-H216 AromaticContact ND1-CE1 3.64Å; H214-H216 AromaticContact ND1-ND1 3.82Å; H214-H216 PolarHBondContact O-N 3.48Å; H216-I218 PolarHBondContact O-N 3.29Å |
| 217 | I | 96.8 | Very high | 96.5 | Very high | 7 Ų | 7 | 47.5 Ų | 47.5 | 4% | 0.036 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 123 | 175.4 | -54.8 | 178.8 | 0 | 0 | 0 | 108.2 | M148 I150 V204 K205 L206 T207 L219 | M148-I217 HydrophobicContact CE-CD1 3.94Å; I150-I217 HydrophobicContact CB-CG2 4.3Å; I150-I217 HydrophobicContact CD1-CD1 3.77Å; I150-I217 HydrophobicContact CD1-CG2 4.23Å; I150-I217 HydrophobicContact CG1-CD1 3.97Å; I150-I217 HydrophobicContact CG1-CG2 4.47Å; V204-I217 HydrophobicContact CG1-CD1 3.92Å; K205-I217 PolarHBondContact O-N 3.27Å; L206-I217 CarbonylContact C-O 3.51Å; L206-I217 WeakPolarHBondContact CA-O 3.11Å; L206-I217 HydrophobicContact CD2-CB 4.12Å; T207-I217 PolarHBondContact N-O 2.95Å; I217-L219 HydrophobicContact CG2-CD2 4.04Å; I217-L219 HydrophobicContact CG2-CG 4.37Å |
| 218 | I | 97.4 | Very high | 96.5 | Very high | 9 Ų | 9 | 48 Ų | 48 | 5% | 0.046 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 130.7 | -177.6 | -38.9 | 173.7 | 0 | 0 | 0 | 109.2 | L177 R180 T207 N209 E210 D212 H216 | L177-I218 HydrophobicContact CD1-CB 4.06Å; L177-I218 HydrophobicContact CD1-CG2 3.58Å; R180-I218 VanDerWaalsContact CZ-CD1 3.49Å; T207-I218 HydrophobicContact CG2-CB 4.2Å; T207-I218 HydrophobicContact CG2-CG1 3.87Å; T207-I218 HydrophobicContact CG2-CG2 4.18Å; T207-I218 CarbonylContact O-C 3.55Å; T207-I218 WeakPolarHBondContact O-CA 3.38Å; N209-I218 WeakPolarHBondContact O-CD1 3.33Å; N209-I218 WeakPolarHBondContact O-CG2 3.39Å; E210-I218 WeakPolarHBondContact O-CD1 3.5Å; D212-I218 HydrophobicContact CB-CD1 4.38Å; D212-I218 HydrophobicContact CB-CG1 4.43Å; H216-I218 PolarHBondContact O-N 3.29Å |
| 219 | L | 97.8 | Very high | 96.5 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | trans | -134.1 | 146.8 | -177.6 | -57.4 | 176.5 | 0 | 0 | 0 | 111 | I120 I150 L206 T207 I217 Y225 F259 A261 | I120-L219 WeakPolarHBondContact CD1-O 3.4Å; I120-L219 HydrophobicContact CG2-CD1 4.42Å; I150-L219 HydrophobicContact CB-CD2 4.42Å; I150-L219 HydrophobicContact CG2-CD2 3.92Å; L206-L219 HydrophobicContact CB-CD1 4.24Å; L206-L219 HydrophobicContact CD1-CD1 3.92Å; L206-L219 HydrophobicContact CD2-CD1 4.04Å; L206-L219 HydrophobicContact CG-CD1 4.28Å; T207-L219 PolarHBondContact O-N 3.15Å; I217-L219 HydrophobicContact CG2-CD2 4.04Å; I217-L219 HydrophobicContact CG2-CG 4.37Å; L219-Y225 HydrophobicContact CB-CD2 4.48Å; L219-Y225 HydrophobicContact CB-CE2 3.84Å; L219-Y225 HydrophobicContact CD1-CD2 4.21Å; L219-Y225 HydrophobicContact CD1-CE2 4.39Å; L219-Y225 HydrophobicContact CD2-CD1 3.8Å; L219-Y225 HydrophobicContact CD2-CD2 4.21Å; L219-Y225 HydrophobicContact CD2-CE1 3.65Å; L219-Y225 HydrophobicContact CD2-CE2 4.05Å; L219-Y225 HydrophobicContact CD2-CG 4.08Å; L219-Y225 HydrophobicContact CG-CE2 4.32Å; L219-F259 HydrophobicContact CD1-CE2 3.87Å; L219-F259 HydrophobicContact CD1-CZ 3.7Å; L219-A261 HydrophobicContact CB-CB 4.23Å; L219-A261 HydrophobicContact CD1-CB 4.23Å | ||
| 220 | N | 97.9 | Very high | 96.5 | Very high | 21 Ų | 21 | 42.8 Ų | 42.8 | 11% | 0.112 | 22% | 0.219 | C | C | . | . | trans | -77.3 | 133.6 | 170.2 | -71.2 | -25.7 | 0 | 0 | 0 | 109.6 | P175 L177 H223 Y225 | P175-N220 PolarHBondContact O-ND2 3.05Å; L177-N220 WeakPolarHBondContact CD1-OD1 3.29Å; L177-N220 WeakPolarHBondContact CG-OD1 3.32Å; N220-H223 WeakPolarHBondContact CB-ND1 3.47Å; N220-Y225 PolarHBondContact N-OH 2.99Å | ||
| 221 | S | 98.3 | Very high | 96.5 | Very high | 32 Ų | 32 | 36.6 Ų | 36.6 | 22% | 0.224 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 149.9 | 174.1 | -164.5 | 0 | 0 | 0 | 0 | 110.9 | H223 T263 | S221-H223 VanDerWaalsContact C-N 3.32Å; S221-H223 PolarHBondContact O-CE1 3.28Å; S221-H223 PolarHBondContact O-N 2.93Å; S221-H223 PolarHBondContact O-ND1 2.85Å; S221-T263 PolarHBondContact OG-N 3.13Å |
| 222 | M | 98.3 | Very high | 96.4 | Very high | 31 Ų | 31 | 29.8 Ų | 29.8 | 15% | 0.153 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | 29.4 | 179.9 | -43.2 | -58.9 | -81.7 | 0 | 0 | 115 | Y158 W167 A261 V262 Q266 | Y158-M222 WeakPolarHBondContact CB-O 3.45Å; Y158-M222 PolarHBondContact N-O 3.35Å; Y158-M222 WeakPolarHBondContact O-CB 3.39Å; W167-M222 HydrophobicContact CH2-CE 3.86Å; W167-M222 HydrophobicContact CH2-SD 4.34Å; W167-M222 HydrophobicContact CZ3-CE 3.66Å; W167-M222 HydrophobicContact CZ3-SD 4.49Å; M222-A261 WeakPolarHBondContact CA-O 3.36Å; M222-A261 PolarHBondContact N-O 2.96Å; M222-V262 HydrophobicContact SD-CG1 4.02Å; M222-Q266 HydrophobicContact CE-CG 4.29Å |
| 223 | H | 98.6 | Very high | 96.1 | Very high | 7 Ų | 7 | 31 Ų | 31 | 3% | 0.032 | 16% | 0.16 | C | C | . | . | trans | -121.5 | 152.9 | 174.8 | -66.4 | 77.5 | 0 | 0 | 0 | 111.1 | K156 A173 D174 N220 S221 Y225 T260 A261 | K156-H223 PolarHBondContact O-CD2 3.41Å; K156-H223 VanDerWaalsContact O-CD2 3.32Å; A173-H223 VanDerWaalsContact CA-NE2 3.3Å; A173-H223 WeakPolarHBondContact CA-NE2 3.22Å; D174-H223 PolarHBondContact N-NE2 3.05Å; D174-H223 IonicContact OD2-CE1 2.64Å; D174-H223 PolarHBondContact OD2-CE1 3.16Å; D174-H223 VanDerWaalsContact OD2-CE1 3.31Å; N220-H223 WeakPolarHBondContact CB-ND1 3.47Å; S221-H223 VanDerWaalsContact C-N 3.32Å; S221-H223 PolarHBondContact O-CE1 3.28Å; S221-H223 PolarHBondContact O-N 2.93Å; S221-H223 PolarHBondContact O-ND1 2.85Å; H223-Y225 HydrophobicContact CB-CD2 4.47Å; H223-Y225 HydrophobicContact CB-CE2 3.67Å; H223-Y225 WeakPolarHBondContact O-CD2 3.33Å; H223-T260 WeakPolarHBondContact O-CA 3.17Å; H223-A261 PolarHBondContact O-N 2.74Å | ||
| 224 | K | 98.4 | Very high | 95.6 | Very high | 58 Ų | 58 | 25.4 Ų | 25.4 | 25% | 0.252 | 13% | 0.133 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 138.7 | 178.9 | -73.4 | -174.8 | -178.6 | -178.6 | 0 | 111.9 | P152 V153 Y158 F259 | P152-K224 WeakPolarHBondContact CA-O 3.3Å; V153-K224 HydrophobicContact CB-CB 3.92Å; V153-K224 HydrophobicContact CG2-CB 4.14Å; V153-K224 PolarHBondContact N-O 3.29Å; Y158-K224 HydrophobicContact CD2-CD 4.42Å; Y158-K224 HydrophobicContact CD2-CG 4.06Å; Y158-K224 HydrophobicContact CE2-CB 4.29Å; Y158-K224 HydrophobicContact CE2-CD 3.66Å; Y158-K224 HydrophobicContact CE2-CG 3.68Å; Y158-K224 VanDerWaalsContact CZ-CE 3.49Å; Y158-K224 PolarHBondContact OH-NZ 3.26Å; K224-F259 CarbonylContact C-O 3.59Å; K224-F259 WeakPolarHBondContact CA-O 3.37Å |
| 225 | Y | 98.4 | Very high | 94.9 | Very high | 17 Ų | 17 | 23.7 Ų | 23.7 | 7% | 0.067 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 142.1 | -173 | -71.4 | -73.7 | 0 | 0 | 0 | 112.3 | I150 V151 P152 L219 N220 H223 V258 F259 A261 | I150-Y225 HydrophobicContact CG2-CD1 3.9Å; I150-Y225 HydrophobicContact CG2-CG 3.96Å; V151-Y225 CarbonylContact O-C 3.45Å; V151-Y225 WeakPolarHBondContact O-CA 3.28Å; P152-Y225 HydrophobicContact CB-CD1 4.4Å; P152-Y225 HydrophobicContact CB-CE1 4.15Å; L219-Y225 HydrophobicContact CB-CD2 4.48Å; L219-Y225 HydrophobicContact CB-CE2 3.84Å; L219-Y225 HydrophobicContact CD1-CD2 4.21Å; L219-Y225 HydrophobicContact CD1-CE2 4.39Å; L219-Y225 HydrophobicContact CD2-CD1 3.8Å; L219-Y225 HydrophobicContact CD2-CD2 4.21Å; L219-Y225 HydrophobicContact CD2-CE1 3.65Å; L219-Y225 HydrophobicContact CD2-CE2 4.05Å; L219-Y225 HydrophobicContact CD2-CG 4.08Å; L219-Y225 HydrophobicContact CG-CE2 4.32Å; N220-Y225 PolarHBondContact N-OH 2.99Å; H223-Y225 HydrophobicContact CB-CD2 4.47Å; H223-Y225 HydrophobicContact CB-CE2 3.67Å; H223-Y225 WeakPolarHBondContact O-CD2 3.33Å; Y225-V258 WeakPolarHBondContact O-CA 3.21Å; Y225-F259 HydrophobicContact CD2-CE2 4.29Å; Y225-F259 HydrophobicContact CG-CZ 4.46Å; Y225-F259 PolarHBondContact N-O 3.46Å; Y225-F259 PolarHBondContact O-N 2.89Å; Y225-A261 HydrophobicContact CD2-CB 3.85Å; Y225-A261 HydrophobicContact CE2-CB 3.81Å |
| 226 | Q | 98.3 | Very high | 93.5 | Very high | 23 Ų | 23 | 27 Ų | 27 | 11% | 0.107 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 112.7 | 174.3 | 173.5 | 67 | 79.5 | 0 | 0 | 108.4 | V151 V153 R228 V253 F254 T257 V258 | V151-Q226 HydrophobicContact CG2-CB 4.17Å; V151-Q226 PolarHBondContact N-O 3.05Å; V151-Q226 PolarHBondContact O-N 3.26Å; V153-Q226 HydrophobicContact CG2-CB 3.95Å; Q226-R228 HydrophobicContact CG-CG 4.39Å; Q226-V253 HydrophobicContact CG-CG1 3.56Å; Q226-F254 PolarHBondContact NE2-O 2.84Å; Q226-T257 PolarHBondContact NE2-OG1 3.07Å; Q226-V258 HydrophobicContact CB-CG2 4.28Å |
| 227 | P | 98.2 | Very high | 91.5 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.019 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 142.3 | 163.9 | -20.8 | 32.5 | 0 | 0 | 0 | 111.3 | I131 D149 T257 F259 | I131-P227 HydrophobicContact CD1-CB 3.31Å; I131-P227 HydrophobicContact CD1-CG 3.6Å; D149-P227 WeakPolarHBondContact O-CA 3.34Å; P227-T257 VanDerWaalsContact CD-O 3.32Å; P227-T257 WeakPolarHBondContact CD-O 3.46Å; P227-F259 HydrophobicContact CG-CD1 4.13Å; P227-F259 HydrophobicContact CG-CE1 3.91Å |
| 228 | R | 97.7 | Very high | 89.4 | Confident | 10 Ų | 10 | 40.2 Ų | 40.2 | 4% | 0.038 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 135.4 | 171 | -51 | -170.8 | -62.5 | 165.3 | -2.8 | 109.4 | I84 P85 M148 D149 V151 Q226 H230 T251 V253 | I84-R228 PolarHBondContact O-NH2 3.01Å; P85-R228 PolarHBondContact O-NH1 2.83Å; M148-R228 CarbonylContact C-O 3.53Å; M148-R228 VanDerWaalsContact CA-O 3.27Å; M148-R228 WeakPolarHBondContact CA-O 3.44Å; M148-R228 WeakPolarHBondContact CG-O 3.39Å; D149-R228 PolarHBondContact N-O 2.93Å; D149-R228 PolarHBondContact O-N 3.39Å; D149-R228 WeakPolarHBondContact OD1-CB 3.39Å; D149-R228 IonicContact OD1-CZ 2.73Å; D149-R228 IonicContact OD1-NE 2.75Å; D149-R228 PolarHBondContact OD1-NE 2.96Å; D149-R228 IonicContact OD1-NH2 3.5Å; D149-R228 PolarHBondContact OD1-NH2 3.09Å; D149-R228 IonicContact OD2-CZ 2.64Å; D149-R228 IonicContact OD2-NE 2.81Å; D149-R228 IonicContact OD2-NH2 3.54Å; D149-R228 PolarHBondContact OD2-NH2 3.29Å; V151-R228 HydrophobicContact CG2-CG 4.16Å; Q226-R228 HydrophobicContact CG-CG 4.39Å; R228-H230 WeakPolarHBondContact CB-NE2 3.48Å; R228-H230 PolarHBondContact O-CD2 3.25Å; R228-T251 HydrophobicContact CB-CG2 4.04Å; R228-V253 HydrophobicContact CB-CG2 4.49Å; R228-V253 HydrophobicContact CG-CG2 4.09Å |
| 229 | V | 97.6 | Very high | 87.1 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.012 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 134.3 | 175.6 | 178.3 | 0 | 0 | 0 | 0 | 108.4 | I131 V133 F135 V146 M148 F201 T251 F252 | I131-V229 HydrophobicContact CG2-CG2 4.06Å; V133-V229 HydrophobicContact CG1-CG2 4.35Å; V133-V229 HydrophobicContact CG2-CG1 4.29Å; F135-V229 HydrophobicContact CZ-CG1 4.03Å; V146-V229 HydrophobicContact CG1-CG1 4.43Å; M148-V229 HydrophobicContact CG-CG2 4.31Å; F201-V229 HydrophobicContact CE2-CG1 4.08Å; F201-V229 HydrophobicContact CE2-CG2 3.97Å; F201-V229 HydrophobicContact CZ-CG1 4.21Å; V229-T251 CarbonylContact O-C 3.59Å; V229-F252 PolarHBondContact N-O 2.89Å; V229-F252 PolarHBondContact O-N 2.79Å |
| 230 | H | 95.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 138.1 | -176.4 | -50.5 | -93.2 | 0 | 0 | 0 | 110.2 | I84 V146 L147 D149 R228 R250 T251 | I84-H230 HydrophobicContact CD1-CB 4.04Å; I84-H230 WeakPolarHBondContact CD1-ND1 3.2Å; V146-H230 WeakPolarHBondContact CA-O 3.43Å; L147-H230 HydrophobicContact CD1-CB 3.79Å; L147-H230 HydrophobicContact CG-CB 4.07Å; L147-H230 PolarHBondContact N-O 3.04Å; L147-H230 PolarHBondContact O-N 3.04Å; D149-H230 IonicContact OD1-NE2 2.7Å; R228-H230 WeakPolarHBondContact CB-NE2 3.48Å; R228-H230 PolarHBondContact O-CD2 3.25Å; H230-R250 WeakPolarHBondContact CA-O 3.3Å; H230-T251 VanDerWaalsContact CE1-CG2 3.42Å; H230-T251 WeakPolarHBondContact CE1-CG2 3.34Å; H230-T251 PolarHBondContact CE1-OG1 2.84Å; H230-T251 PolarHBondContact ND1-OG1 3.49Å |
| 231 | I | 94.1 | Very high | 82.9 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 134 | 169.7 | -169.7 | 170 | 0 | 0 | 0 | 108.8 | M95 I98 F135 V138 Y144 I145 V146 L194 F249 R250 F252 | M95-I231 HydrophobicContact CE-CG2 4.03Å; M95-I231 WeakPolarHBondContact CE-O 3.27Å; I98-I231 HydrophobicContact CD1-CG2 4.42Å; I98-I231 HydrophobicContact CG2-CD1 4.41Å; I98-I231 HydrophobicContact CG2-CG2 4.4Å; F135-I231 HydrophobicContact CD1-CD1 4.09Å; F135-I231 HydrophobicContact CE1-CB 4.16Å; F135-I231 HydrophobicContact CE1-CD1 4.16Å; F135-I231 HydrophobicContact CE1-CG2 4.44Å; V138-I231 HydrophobicContact CG1-CD1 3.99Å; Y144-I231 HydrophobicContact CD1-CD1 3.74Å; Y144-I231 HydrophobicContact CD1-CG1 3.73Å; Y144-I231 HydrophobicContact CE1-CD1 4.37Å; Y144-I231 HydrophobicContact CG-CD1 3.92Å; Y144-I231 HydrophobicContact CG-CG1 4.11Å; I145-I231 WeakPolarHBondContact O-CA 3.19Å; V146-I231 HydrophobicContact CG2-CD1 4.37Å; V146-I231 HydrophobicContact CG2-CG1 4.11Å; L194-I231 HydrophobicContact CD1-CD1 3.64Å; I231-F249 CarbonylContact O-C 3.6Å; I231-F249 VanDerWaalsContact O-CA 3.24Å; I231-F249 WeakPolarHBondContact O-CA 3.38Å; I231-R250 HydrophobicContact CG2-CB 4.05Å; I231-R250 PolarHBondContact N-O 2.88Å; I231-R250 PolarHBondContact O-N 2.87Å; I231-F252 HydrophobicContact CG2-CE2 3.75Å |
| 232 | I | 91.4 | Very high | 80.8 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 123.5 | -179.1 | -47.2 | -174.6 | 0 | 0 | 0 | 108.3 | Y144 I145 L147 K234 L244 E247 E248 F249 | Y144-I232 CarbonylContact C-O 3.54Å; Y144-I232 VanDerWaalsContact CA-O 3.27Å; Y144-I232 WeakPolarHBondContact CA-O 3.48Å; I145-I232 HydrophobicContact CB-CB 4.4Å; I145-I232 PolarHBondContact N-O 2.78Å; I145-I232 PolarHBondContact O-N 3.25Å; L147-I232 HydrophobicContact CD2-CD1 3.88Å; I232-K234 PolarHBondContact O-N 3.46Å; I232-L244 HydrophobicContact CD1-CD2 4.16Å; I232-E247 HydrophobicContact CG2-CB 3.58Å; I232-E247 HydrophobicContact CG2-CG 4.38Å; I232-E248 WeakPolarHBondContact CA-O 3.29Å; I232-F249 HydrophobicContact CB-CB 4.42Å; I232-F249 HydrophobicContact CG1-CB 3.85Å; I232-F249 HydrophobicContact CG2-CB 4.41Å |
| 233 | K | 89.3 | Confident | 78.6 | Confident | 29 Ų | 29 | 56.2 Ų | 56.2 | 13% | 0.126 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 118.2 | 173.8 | -177.2 | 166 | 178.6 | 157.9 | 0 | 109.6 | E94 M95 D139 S142 Y144 E248 | E94-K233 VanDerWaalsContact OE1-CD 3.32Å; E94-K233 WeakPolarHBondContact OE1-CD 3.5Å; E94-K233 IonicContact OE1-NZ 2.65Å; E94-K233 PolarHBondContact OE1-NZ 3.49Å; E94-K233 IonicContact OE2-NZ 3.84Å; E94-K233 PolarHBondContact OE2-NZ 3.12Å; M95-K233 HydrophobicContact SD-CB 3.78Å; D139-K233 IonicContact OD2-NZ 2.68Å; D139-K233 PolarHBondContact OD2-NZ 2.87Å; S142-K233 WeakPolarHBondContact OG-CE 3.38Å; S142-K233 PolarHBondContact OG-NZ 3.02Å; Y144-K233 HydrophobicContact CD1-CB 4.02Å; Y144-K233 HydrophobicContact CD1-CG 4.46Å; Y144-K233 HydrophobicContact CE1-CB 3.73Å; Y144-K233 HydrophobicContact CE1-CD 4.24Å; Y144-K233 HydrophobicContact CE1-CG 3.97Å; K233-E248 PolarHBondContact N-O 2.83Å |
| 234 | K | 83.6 | Confident | 76.6 | Confident | 70 Ų | 70 | 56.9 Ų | 56.9 | 30% | 0.304 | 30% | 0.297 | S | S | . | . | P | Polyproline II helix | trans | -76.2 | 128.4 | 179.2 | -170.2 | -177.4 | -178.6 | -174.5 | 0 | 109.9 | K143 I232 A239 | K143-K234 HydrophobicContact CB-CB 4.3Å; K143-K234 WeakPolarHBondContact O-CB 3.49Å; K143-K234 PolarHBondContact O-N 3.31Å; I232-K234 PolarHBondContact O-N 3.46Å; K234-A239 HydrophobicContact CD-CB 4.28Å; K234-A239 HydrophobicContact CG-CB 3.63Å |
| 235 | K | 77.3 | Confident | 74.4 | Confident | 104 Ų | 104 | 64.1 Ų | 64.1 | 45% | 0.452 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -94.6 | 136.6 | 167.9 | -63.3 | 178.3 | -179.5 | 177 | 0 | 109 | H237 E248 | K235-H237 VanDerWaalsContact C-N 3.27Å; K235-H237 PolarHBondContact O-N 2.81Å; K235-E248 VanDerWaalsContact CE-OE1 3.25Å; K235-E248 WeakPolarHBondContact CE-OE1 3.39Å; K235-E248 IonicContact NZ-OE1 2.74Å; K235-E248 PolarHBondContact NZ-OE1 2.89Å |
| 236 | D | 63.1 | Low | 72.2 | Confident | 116 Ų | 116 | 66.5 Ų | 66.5 | 62% | 0.62 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -12.1 | -157.6 | -84.6 | -59.7 | 0 | 0 | 0 | 117.1 | ||
| 237 | H | 54.7 | Low | 70.6 | Confident | 181 Ų | 181 | 66.3 Ų | 66.3 | 84% | 0.838 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121 | -16.9 | -171.5 | -62.5 | -23.6 | 0 | 0 | 0 | 116.1 | K235 | K235-H237 VanDerWaalsContact C-N 3.27Å; K235-H237 PolarHBondContact O-N 2.81Å |
| 238 | T | 52.8 | Low | 69.6 | Low | 127 Ų | 127 | 69 Ų | 69 | 78% | 0.779 | 36% | 0.359 | S | S | * | . | trans | -150.2 | 92.5 | 178 | 26.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 239 | A | 47.5 | Very low | 69 | Low | 35 Ų | 35 | 70.8 Ų | 70.8 | 29% | 0.289 | 37% | 0.367 | S | S | . | . | trans | -140.8 | 88 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | K234 E247 | K234-A239 HydrophobicContact CD-CB 4.28Å; K234-A239 HydrophobicContact CG-CB 3.63Å; A239-E247 VanDerWaalsContact CA-OE1 3.29Å; A239-E247 WeakPolarHBondContact CA-OE1 3.42Å; A239-E247 VanDerWaalsContact CB-OE1 3.3Å; A239-E247 WeakPolarHBondContact CB-OE1 3.46Å | ||
| 240 | S | 53 | Low | 68.6 | Low | 68 Ų | 68 | 73.7 Ų | 73.7 | 48% | 0.476 | 38% | 0.378 | S | S | . | . | trans | -109.6 | 132 | 169.7 | 176.6 | 0 | 0 | 0 | 0 | 107.8 | L242 N243 | S240-L242 PolarHBondContact O-N 2.9Å; S240-N243 PolarHBondContact O-N 3.48Å | ||
| 241 | L | 55 | Low | 68.6 | Low | 81 Ų | 81 | 75.1 Ų | 75.1 | 42% | 0.424 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 0.4 | 178.4 | -68.1 | 172.3 | 0 | 0 | 0 | 114.4 | I145 V183 L244 | I145-L241 HydrophobicContact CD1-CD2 4.02Å; I145-L241 HydrophobicContact CG2-CD2 4.38Å; V183-L241 HydrophobicContact CG2-CD1 4.04Å; L241-L244 WeakPolarHBondContact O-CD1 3.01Å |
| 242 | L | 53.7 | Low | 68.7 | Low | 162 Ų | 162 | 76.1 Ų | 76.1 | 85% | 0.848 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -8.3 | 173.5 | -56.7 | 179.4 | 0 | 0 | 0 | 113.3 | S240 | S240-L242 PolarHBondContact O-N 2.9Š|
| 243 | N | 53.3 | Low | 69 | Low | 86 Ų | 86 | 79.5 Ų | 79.5 | 46% | 0.46 | 41% | 0.411 | S | S | . | . | trans | -126.4 | 46.4 | -173.2 | -154.4 | 4.7 | 0 | 0 | 0 | 114.7 | S240 K245 S246 | S240-N243 PolarHBondContact O-N 3.48Å; N243-K245 PolarHBondContact O-N 3.44Å; N243-S246 PolarHBondContact ND2-OG 3.22Å; N243-S246 VanDerWaalsContact ND2-OG 3.17Å; N243-S246 PolarHBondContact O-N 2.73Å; N243-S246 PolarHBondContact O-OG 2.91Å | ||
| 244 | L | 56.8 | Low | 69.4 | Low | 22 Ų | 22 | 79.5 Ų | 79.5 | 12% | 0.115 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -12.3 | 175 | -62.5 | 94.8 | 0 | 0 | 0 | 114.1 | I84 L181 I232 L241 S246 | I84-L244 HydrophobicContact CD1-CD2 3.74Å; I84-L244 HydrophobicContact CG1-CD2 3.45Å; I84-L244 VanDerWaalsContact CG1-CD2 3.45Å; L181-L244 HydrophobicContact CD1-CD2 4.06Å; I232-L244 HydrophobicContact CD1-CD2 4.16Å; L241-L244 WeakPolarHBondContact O-CD1 3.01Å; L244-S246 PolarHBondContact O-N 2.99Å |
| 245 | K | 50.7 | Low | 70.1 | Confident | 210 Ų | 210 | 80.8 Ų | 80.8 | 91% | 0.913 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75 | -9.1 | 171.6 | -63.7 | -173.3 | 178.3 | -176 | 0 | 113.6 | N243 | N243-K245 PolarHBondContact O-N 3.44Š|
| 246 | S | 52.5 | Low | 71.1 | Confident | 67 Ų | 67 | 76.8 Ų | 76.8 | 47% | 0.469 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | -12.2 | -177.3 | 69.5 | 0 | 0 | 0 | 0 | 114.4 | N243 L244 | N243-S246 PolarHBondContact ND2-OG 3.22Å; N243-S246 VanDerWaalsContact ND2-OG 3.17Å; N243-S246 PolarHBondContact O-N 2.73Å; N243-S246 PolarHBondContact O-OG 2.91Å; L244-S246 PolarHBondContact O-N 2.99Å |
| 247 | E | 65.8 | Low | 72.8 | Confident | 18 Ų | 18 | 71.3 Ų | 71.3 | 8% | 0.084 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -93.6 | 142.8 | 178.8 | -62.6 | -176.4 | 133.3 | 0 | 0 | 110.7 | I232 A239 F249 | I232-E247 HydrophobicContact CG2-CB 3.58Å; I232-E247 HydrophobicContact CG2-CG 4.38Å; A239-E247 VanDerWaalsContact CA-OE1 3.29Å; A239-E247 WeakPolarHBondContact CA-OE1 3.42Å; A239-E247 VanDerWaalsContact CB-OE1 3.3Å; A239-E247 WeakPolarHBondContact CB-OE1 3.46Å; E247-F249 PolarHBondContact O-N 3.41Å |
| 248 | E | 76.3 | Confident | 74.9 | Confident | 61 Ų | 61 | 64.1 Ų | 64.1 | 29% | 0.285 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 106 | 176.6 | -76.8 | 173.3 | -128.5 | 0 | 0 | 109.6 | S92 M95 I232 K233 K235 | S92-E248 WeakPolarHBondContact CB-OE2 3.41Å; S92-E248 PolarHBondContact OG-OE2 2.91Å; M95-E248 WeakPolarHBondContact CE-O 3.48Å; M95-E248 HydrophobicContact CG-CB 4.05Å; I232-E248 WeakPolarHBondContact CA-O 3.29Å; K233-E248 PolarHBondContact N-O 2.83Å; K235-E248 VanDerWaalsContact CE-OE1 3.25Å; K235-E248 WeakPolarHBondContact CE-OE1 3.39Å; K235-E248 IonicContact NZ-OE1 2.74Å; K235-E248 PolarHBondContact NZ-OE1 2.89Å |
| 249 | F | 84.8 | Confident | 77.1 | Confident | 46 Ų | 46 | 58.2 Ų | 58.2 | 20% | 0.202 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 153.6 | 178.2 | 74.7 | -91.8 | 0 | 0 | 0 | 112.4 | I84 I231 I232 E247 | I84-F249 HydrophobicContact CG2-CD2 4.1Å; I84-F249 HydrophobicContact CG2-CE2 3.47Å; I84-F249 VanDerWaalsContact CG2-CE2 3.47Å; I84-F249 HydrophobicContact CG2-CZ 3.87Å; I231-F249 CarbonylContact O-C 3.6Å; I231-F249 VanDerWaalsContact O-CA 3.24Å; I231-F249 WeakPolarHBondContact O-CA 3.38Å; I232-F249 HydrophobicContact CB-CB 4.42Å; I232-F249 HydrophobicContact CG1-CB 3.85Å; I232-F249 HydrophobicContact CG2-CB 4.41Å; E247-F249 PolarHBondContact O-N 3.41Å |
| 250 | R | 90.5 | Very high | 79.5 | Confident | 64 Ų | 64 | 56.8 Ų | 56.8 | 24% | 0.242 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 138.7 | 167.4 | -179.8 | 167.3 | 178.4 | 165.5 | 0.1 | 110.1 | M95 A96 I98 H230 I231 F252 | M95-R250 HydrophobicContact CE-CB 3.88Å; M95-R250 WeakPolarHBondContact O-CD 3.23Å; M95-R250 PolarHBondContact O-NH1 3.45Å; A96-R250 PolarHBondContact O-NH1 2.78Å; I98-R250 PolarHBondContact O-NE 3.02Å; I98-R250 PolarHBondContact O-NH1 3Å; H230-R250 WeakPolarHBondContact CA-O 3.3Å; I231-R250 HydrophobicContact CG2-CB 4.05Å; I231-R250 PolarHBondContact N-O 2.88Å; I231-R250 PolarHBondContact O-N 2.87Å; R250-F252 HydrophobicContact CB-CE2 4.4Å; R250-F252 HydrophobicContact CB-CZ 4.5Å; R250-F252 HydrophobicContact CG-CE1 4.2Å; R250-F252 HydrophobicContact CG-CE2 3.95Å; R250-F252 HydrophobicContact CG-CZ 3.73Å; R250-F252 VanDerWaalsContact NE-CE1 3.31Å |
| 251 | T | 93.8 | Very high | 81.7 | Confident | 30 Ų | 30 | 53.5 Ų | 53.5 | 18% | 0.184 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 135.8 | 178.6 | -56.9 | 0 | 0 | 0 | 0 | 110 | R228 V229 H230 V253 | R228-T251 HydrophobicContact CB-CG2 4.04Å; V229-T251 CarbonylContact O-C 3.59Å; H230-T251 VanDerWaalsContact CE1-CG2 3.42Å; H230-T251 WeakPolarHBondContact CE1-CG2 3.34Å; H230-T251 PolarHBondContact CE1-OG1 2.84Å; H230-T251 PolarHBondContact ND1-OG1 3.49Å; T251-V253 HydrophobicContact CG2-CG2 3.99Å |
| 252 | F | 96.6 | Very high | 83.8 | Confident | 20 Ų | 20 | 49.7 Ų | 49.7 | 9% | 0.088 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 136.1 | 172.7 | -57.2 | -83.3 | 0 | 0 | 0 | 109.2 | I98 C100 F135 V229 I231 R250 F254 | I98-F252 HydrophobicContact CG2-CZ 4.04Å; I98-F252 WeakPolarHBondContact O-CZ 3.49Å; C100-F252 HydrophobicContact CB-CB 4.15Å; C100-F252 HydrophobicContact CB-CD1 3.44Å; C100-F252 VanDerWaalsContact CB-CD1 3.44Å; C100-F252 HydrophobicContact CB-CD2 3.63Å; C100-F252 HydrophobicContact CB-CE1 3.58Å; C100-F252 HydrophobicContact CB-CE2 3.77Å; C100-F252 HydrophobicContact CB-CG 3.45Å; C100-F252 VanDerWaalsContact CB-CG 3.45Å; C100-F252 HydrophobicContact CB-CZ 3.74Å; F135-F252 HydrophobicContact CD1-CE2 4.36Å; F135-F252 HydrophobicContact CE1-CD2 4.17Å; F135-F252 AromaticContact CE1-CE2 3.87Å; F135-F252 HydrophobicContact CE1-CE2 3.87Å; V229-F252 PolarHBondContact N-O 2.89Å; V229-F252 PolarHBondContact O-N 2.79Å; I231-F252 HydrophobicContact CG2-CE2 3.75Å; R250-F252 HydrophobicContact CB-CE2 4.4Å; R250-F252 HydrophobicContact CB-CZ 4.5Å; R250-F252 HydrophobicContact CG-CE1 4.2Å; R250-F252 HydrophobicContact CG-CE2 3.95Å; R250-F252 HydrophobicContact CG-CZ 3.73Å; R250-F252 VanDerWaalsContact NE-CE1 3.31Å; F252-F254 HydrophobicContact CB-CE2 4.21Å; F252-F254 HydrophobicContact CB-CZ 4.31Å |
| 253 | V | 97.7 | Very high | 85.9 | Confident | 72 Ų | 72 | 45.9 Ų | 45.9 | 44% | 0.436 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 121.2 | -175 | -172.6 | 0 | 0 | 0 | 0 | 108.1 | Q226 R228 T251 | Q226-V253 HydrophobicContact CG-CG1 3.56Å; R228-V253 HydrophobicContact CB-CG2 4.49Å; R228-V253 HydrophobicContact CG-CG2 4.09Å; T251-V253 HydrophobicContact CG2-CG2 3.99Å |
| 254 | F | 98.3 | Very high | 88.1 | Confident | 29 Ų | 29 | 44.4 Ų | 44.4 | 13% | 0.127 | 24% | 0.239 | C | C | . | . | trans | -109.4 | 106.1 | -179.6 | -60.1 | -72.4 | 0 | 0 | 0 | 107.9 | C100 L102 V133 Q226 F252 E256 T257 | C100-F254 HydrophobicContact CB-CZ 4.34Å; L102-F254 HydrophobicContact CB-CD1 3.75Å; L102-F254 HydrophobicContact CB-CD2 4.35Å; L102-F254 HydrophobicContact CB-CE1 3.85Å; L102-F254 HydrophobicContact CB-CE2 4.44Å; L102-F254 HydrophobicContact CB-CG 4.01Å; L102-F254 HydrophobicContact CB-CZ 4.19Å; L102-F254 HydrophobicContact CD1-CD2 4.34Å; L102-F254 HydrophobicContact CD1-CG 4.49Å; L102-F254 HydrophobicContact CD2-CB 4.1Å; L102-F254 HydrophobicContact CD2-CG 4.3Å; V133-F254 HydrophobicContact CG1-CE2 3.84Å; V133-F254 HydrophobicContact CG1-CZ 4.34Å; Q226-F254 PolarHBondContact NE2-O 2.84Å; F252-F254 HydrophobicContact CB-CE2 4.21Å; F252-F254 HydrophobicContact CB-CZ 4.31Å; F254-E256 VanDerWaalsContact CA-OE2 3.28Å; F254-E256 WeakPolarHBondContact CA-OE2 3.5Å; F254-E256 WeakPolarHBondContact CB-OE2 3.41Å; F254-E256 PolarHBondContact O-N 2.96Å; F254-T257 HydrophobicContact CB-CG2 3.75Å; F254-T257 WeakPolarHBondContact O-CB 3.49Å; F254-T257 PolarHBondContact O-N 3.19Å; F254-T257 PolarHBondContact O-OG1 3.07Å | ||
| 255 | V | 98.1 | Very high | 90.1 | Very high | 98 Ų | 98 | 46.2 Ų | 46.2 | 59% | 0.594 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -64.9 | -28.4 | -171.8 | -63.1 | 0 | 0 | 0 | 0 | 112.7 | H112 T257 V258 | H112-V255 PolarHBondContact CE1-O 3.35Å; H112-V255 PolarHBondContact ND1-O 3.14Å; V255-T257 PolarHBondContact O-N 3.24Å; V255-V258 WeakPolarHBondContact O-CB 3.48Å; V255-V258 VanDerWaalsContact O-CG2 3.3Å; V255-V258 WeakPolarHBondContact O-CG2 3.34Å; V255-V258 PolarHBondContact O-N 3.03Å |
| 256 | E | 98.3 | Very high | 92.4 | Very high | 19 Ų | 19 | 37.7 Ų | 37.7 | 9% | 0.089 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -61.8 | -26.8 | 173 | 60.1 | -89 | -107.5 | 0 | 0 | 112.4 | L102 K105 W108 D109 H112 F254 V258 | L102-E256 HydrophobicContact CD2-CG 3.56Å; K105-E256 WeakPolarHBondContact CE-OE1 3.44Å; K105-E256 WeakPolarHBondContact CG-OE1 3.41Å; K105-E256 IonicContact NZ-OE1 3.37Å; K105-E256 PolarHBondContact NZ-OE1 2.67Å; W108-E256 HydrophobicContact CB-CB 4.37Å; W108-E256 HydrophobicContact CB-CG 3.96Å; D109-E256 WeakPolarHBondContact OD1-CB 3.28Å; H112-E256 HydrophobicContact CB-CB 4.35Å; H112-E256 WeakPolarHBondContact ND1-CA 3.07Å; H112-E256 PolarHBondContact ND1-O 3.19Å; H112-E256 VanDerWaalsContact ND1-O 3.11Å; F254-E256 VanDerWaalsContact CA-OE2 3.28Å; F254-E256 WeakPolarHBondContact CA-OE2 3.5Å; F254-E256 WeakPolarHBondContact CB-OE2 3.41Å; F254-E256 PolarHBondContact O-N 2.96Å; E256-V258 VanDerWaalsContact C-N 3.26Å; E256-V258 PolarHBondContact O-N 3.1Å |
| 257 | T | 98.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -80 | -1.9 | -179.4 | 71 | 0 | 0 | 0 | 0 | 114.4 | L102 W108 Q226 P227 F254 V255 F259 | L102-T257 HydrophobicContact CD1-CG2 4.07Å; L102-T257 HydrophobicContact CD2-CG2 3.68Å; W108-T257 HydrophobicContact CD2-CG2 3.87Å; W108-T257 HydrophobicContact CE3-CG2 3.93Å; W108-T257 HydrophobicContact CG-CG2 4.37Å; W108-T257 HydrophobicContact CH2-CG2 4.35Å; W108-T257 HydrophobicContact CZ2-CG2 4.32Å; W108-T257 HydrophobicContact CZ3-CG2 4.16Å; Q226-T257 PolarHBondContact NE2-OG1 3.07Å; P227-T257 VanDerWaalsContact CD-O 3.32Å; P227-T257 WeakPolarHBondContact CD-O 3.46Å; F254-T257 HydrophobicContact CB-CG2 3.75Å; F254-T257 WeakPolarHBondContact O-CB 3.49Å; F254-T257 PolarHBondContact O-N 3.19Å; F254-T257 PolarHBondContact O-OG1 3.07Å; V255-T257 PolarHBondContact O-N 3.24Å; T257-F259 PolarHBondContact O-N 3.22Å |
| 258 | V | 98.8 | Very high | 96 | Very high | 31 Ų | 31 | 40 Ų | 40 | 19% | 0.188 | 21% | 0.212 | C | C | . | . | trans | -56.7 | 133.9 | 172.2 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | T116 V153 Y225 Q226 V255 E256 | T116-V258 WeakPolarHBondContact CB-O 3.49Å; T116-V258 PolarHBondContact OG1-O 3.1Å; V153-V258 HydrophobicContact CG2-CG1 4.07Å; V153-V258 HydrophobicContact CG2-CG2 4.31Å; Y225-V258 WeakPolarHBondContact O-CA 3.21Å; Q226-V258 HydrophobicContact CB-CG2 4.28Å; V255-V258 WeakPolarHBondContact O-CB 3.48Å; V255-V258 VanDerWaalsContact O-CG2 3.3Å; V255-V258 WeakPolarHBondContact O-CG2 3.34Å; V255-V258 PolarHBondContact O-N 3.03Å; E256-V258 VanDerWaalsContact C-N 3.26Å; E256-V258 PolarHBondContact O-N 3.1Å | ||
| 259 | F | 98.9 | Very high | 97 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 159.4 | 178.7 | 70.6 | -89.8 | 0 | 0 | 0 | 113.2 | T116 M118 I150 L206 L219 K224 Y225 P227 T257 A261 | T116-F259 HydrophobicContact CG2-CB 3.7Å; T116-F259 CarbonylContact O-C 3.58Å; T116-F259 WeakPolarHBondContact O-CA 3.09Å; T116-F259 WeakPolarHBondContact O-CB 3.48Å; M118-F259 HydrophobicContact CB-CD2 3.48Å; M118-F259 VanDerWaalsContact CB-CD2 3.48Å; M118-F259 HydrophobicContact CB-CE2 3.72Å; M118-F259 HydrophobicContact CB-CG 4.14Å; M118-F259 HydrophobicContact CG-CB 3.86Å; M118-F259 HydrophobicContact CG-CD1 4.08Å; M118-F259 HydrophobicContact CG-CD2 3.39Å; M118-F259 HydrophobicContact CG-CE2 3.89Å; M118-F259 HydrophobicContact CG-CG 3.51Å; M118-F259 HydrophobicContact CG-CZ 4.41Å; I150-F259 HydrophobicContact CD1-CE1 4.33Å; I150-F259 HydrophobicContact CD1-CZ 4.25Å; I150-F259 HydrophobicContact CG2-CE1 4.2Å; I150-F259 HydrophobicContact CG2-CZ 4.12Å; L206-F259 HydrophobicContact CD1-CE2 3.97Å; L206-F259 HydrophobicContact CD1-CZ 3.82Å; L219-F259 HydrophobicContact CD1-CE2 3.87Å; L219-F259 HydrophobicContact CD1-CZ 3.7Å; K224-F259 CarbonylContact C-O 3.59Å; K224-F259 WeakPolarHBondContact CA-O 3.37Å; Y225-F259 HydrophobicContact CD2-CE2 4.29Å; Y225-F259 HydrophobicContact CG-CZ 4.46Å; Y225-F259 PolarHBondContact N-O 3.46Å; Y225-F259 PolarHBondContact O-N 2.89Å; P227-F259 HydrophobicContact CG-CD1 4.13Å; P227-F259 HydrophobicContact CG-CE1 3.91Å; T257-F259 PolarHBondContact O-N 3.22Å; F259-A261 HydrophobicContact CE2-CB 4.07Å |
| 260 | T | 98.8 | Very high | 97.7 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 124.7 | 166.1 | -48.5 | 0 | 0 | 0 | 0 | 109.2 | T116 E117 M118 W167 H223 V262 | T116-T260 PolarHBondContact O-N 3.21Å; E117-T260 WeakPolarHBondContact CA-O 3.24Å; M118-T260 PolarHBondContact N-O 3.19Å; W167-T260 HydrophobicContact CH2-CG2 3.67Å; W167-T260 HydrophobicContact CZ2-CG2 4.01Å; W167-T260 HydrophobicContact CZ3-CG2 3.95Å; H223-T260 WeakPolarHBondContact O-CA 3.17Å; T260-V262 HydrophobicContact CG2-CG1 4.28Å |
| 261 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 131.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | I120 L219 M222 H223 Y225 F259 | I120-A261 HydrophobicContact CD1-CB 4.3Å; I120-A261 HydrophobicContact CG2-CB 4.07Å; L219-A261 HydrophobicContact CB-CB 4.23Å; L219-A261 HydrophobicContact CD1-CB 4.23Å; M222-A261 WeakPolarHBondContact CA-O 3.36Å; M222-A261 PolarHBondContact N-O 2.96Å; H223-A261 PolarHBondContact O-N 2.74Å; Y225-A261 HydrophobicContact CD2-CB 3.85Å; Y225-A261 HydrophobicContact CE2-CB 3.81Å; F259-A261 HydrophobicContact CE2-CB 4.07Å |
| 262 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 153.1 | -176.6 | -62.9 | 0 | 0 | 0 | 0 | 111.5 | E117 M118 I119 I120 W167 M222 T260 A264 Y265 Q266 | E117-V262 HydrophobicContact CB-CG2 3.98Å; M118-V262 PolarHBondContact O-N 3.42Å; I119-V262 CarbonylContact C-O 3.6Å; I119-V262 VanDerWaalsContact CA-O 3.24Å; I119-V262 WeakPolarHBondContact CA-O 3.46Å; I119-V262 HydrophobicContact CD1-CG2 4.16Å; I120-V262 PolarHBondContact N-O 2.87Å; W167-V262 HydrophobicContact CH2-CG1 3.85Å; W167-V262 HydrophobicContact CZ2-CG1 4.24Å; M222-V262 HydrophobicContact SD-CG1 4.02Å; T260-V262 HydrophobicContact CG2-CG1 4.28Å; V262-A264 WeakPolarHBondContact CB-O 3.38Å; V262-Y265 HydrophobicContact CG2-CD1 4.38Å; V262-Q266 HydrophobicContact CG1-CG 4.33Å |
| 263 | T | 98.6 | Very high | 98.2 | Very high | 82 Ų | 82 | 43.7 Ų | 43.7 | 50% | 0.503 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -85.4 | -25.1 | 172.9 | 44.7 | 0 | 0 | 0 | 0 | 113 | I120 S221 | I120-T263 HydrophobicContact CG1-CG2 4.26Å; S221-T263 PolarHBondContact OG-N 3.13Å |
| 264 | A | 98.5 | Very high | 98.2 | Very high | 55 Ų | 55 | 40.6 Ų | 40.6 | 46% | 0.455 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -146.8 | 149 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109 | V262 Q266 | V262-A264 WeakPolarHBondContact CB-O 3.38Å; A264-Q266 PolarHBondContact O-NE2 3.13Å |
| 265 | Y | 98.7 | Very high | 98.2 | Very high | 61 Ų | 61 | 41.1 Ų | 41.1 | 24% | 0.239 | 22% | 0.219 | C | C | . | . | trans | -63.1 | 140.3 | -178.8 | -64 | -56.5 | 0 | 0 | 0 | 111.9 | E117 I119 V262 I270 T271 K274 | E117-Y265 HydrophobicContact CB-CD1 3.94Å; E117-Y265 HydrophobicContact CB-CE1 4.27Å; E117-Y265 WeakPolarHBondContact OE2-CA 3.37Å; I119-Y265 HydrophobicContact CD1-CD1 3.97Å; I119-Y265 HydrophobicContact CD1-CD2 4.21Å; I119-Y265 HydrophobicContact CD1-CE1 3.95Å; I119-Y265 HydrophobicContact CD1-CE2 4.19Å; I119-Y265 HydrophobicContact CD1-CG 4.09Å; I119-Y265 HydrophobicContact CG1-CD1 4.15Å; I119-Y265 HydrophobicContact CG1-CD2 4.47Å; I119-Y265 HydrophobicContact CG1-CE1 3.59Å; I119-Y265 HydrophobicContact CG1-CE2 3.95Å; I119-Y265 VanDerWaalsContact CG1-CZ 3.47Å; V262-Y265 HydrophobicContact CG2-CD1 4.38Å; Y265-I270 HydrophobicContact CD1-CG2 4.09Å; Y265-I270 HydrophobicContact CE1-CG2 4.23Å; Y265-T271 WeakPolarHBondContact CB-OG1 3.17Å; Y265-T271 HydrophobicContact CD2-CG2 4.34Å; Y265-K274 HydrophobicContact CE1-CD 4.34Å; Y265-K274 HydrophobicContact CE1-CG 4.17Å; Y265-K274 HydrophobicContact CE2-CG 4.12Å; Y265-K274 WeakPolarHBondContact OH-CD 3.4Å; Y265-K274 WeakPolarHBondContact OH-CE 3.4Å | ||
| 266 | Q | 98.6 | Very high | 98.1 | Very high | 30 Ų | 30 | 39.9 Ų | 39.9 | 14% | 0.14 | 21% | 0.209 | C | C | . | . | trans | -102.3 | -50.7 | 179.9 | -51.6 | -64.5 | -76.4 | 0 | 0 | 110.9 | E117 Y160 Y162 W167 M222 V262 A264 Q268 | E117-Q266 PolarHBondContact OE1-N 2.8Å; E117-Q266 PolarHBondContact OE2-N 3.21Å; Y160-Q266 HydrophobicContact CD1-CB 3.83Å; Y160-Q266 HydrophobicContact CD2-CB 4.15Å; Y160-Q266 HydrophobicContact CG-CB 3.61Å; Y162-Q266 WeakPolarHBondContact CE1-O 3.42Å; Y162-Q266 PolarHBondContact OH-OE1 2.95Å; W167-Q266 HydrophobicContact CH2-CB 4.32Å; W167-Q266 HydrophobicContact CH2-CG 3.73Å; W167-Q266 HydrophobicContact CZ2-CB 4.13Å; W167-Q266 HydrophobicContact CZ2-CG 3.99Å; M222-Q266 HydrophobicContact CE-CG 4.29Å; V262-Q266 HydrophobicContact CG1-CG 4.33Å; A264-Q266 PolarHBondContact O-NE2 3.13Å; Q266-Q268 PolarHBondContact O-N 3.16Å | ||
| 267 | N | 97.9 | Very high | 98 | Very high | 14 Ų | 14 | 40.8 Ų | 40.8 | 8% | 0.075 | 22% | 0.217 | C | C | . | . | trans | -80.3 | 115.3 | 175 | -175.8 | -2 | 0 | 0 | 0 | 111 | L114 E117 Y160 L269 I270 T271 | L114-N267 PolarHBondContact O-ND2 2.96Å; E117-N267 WeakPolarHBondContact OE1-CB 3.33Å; E117-N267 PolarHBondContact OE1-N 3.37Å; Y160-N267 HydrophobicContact CE2-CB 4.01Å; N267-L269 PolarHBondContact O-N 3.49Å; N267-L269 WeakPolarHBondContact OD1-CB 3.39Å; N267-L269 PolarHBondContact OD1-N 2.79Å; N267-I270 HydrophobicContact CB-CB 4.29Å; N267-I270 HydrophobicContact CB-CG1 3.86Å; N267-I270 WeakPolarHBondContact O-CB 3.39Å; N267-I270 PolarHBondContact O-N 3.16Å; N267-T271 PolarHBondContact O-N 3.14Å; N267-T271 VanDerWaalsContact O-N 3.15Å | ||
| 268 | Q | 97.1 | Very high | 97.8 | Very high | 120 Ų | 120 | 42 Ų | 42 | 56% | 0.561 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -67.5 | -21.4 | 179.4 | -60.6 | -56.3 | -21.2 | 0 | 0 | 113.8 | Q266 I270 T271 K272 | Q266-Q268 PolarHBondContact O-N 3.16Å; Q268-I270 VanDerWaalsContact C-N 3.33Å; Q268-T271 WeakPolarHBondContact O-CB 3.28Å; Q268-T271 PolarHBondContact O-N 2.74Å; Q268-T271 PolarHBondContact OE1-OG1 2.82Å; Q268-T271 VanDerWaalsContact OE1-OG1 3.07Å; Q268-K272 PolarHBondContact O-N 2.92Å |
| 269 | L | 97.7 | Very high | 97.6 | Very high | 102 Ų | 102 | 45 Ų | 45 | 53% | 0.534 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68 | -36.2 | 171.4 | -57.4 | 178.8 | 0 | 0 | 0 | 111.1 | L114 N267 L273 | L114-L269 HydrophobicContact CD1-CB 4.01Å; L114-L269 HydrophobicContact CD2-CB 4.06Å; L114-L269 HydrophobicContact CD2-CD1 3.93Å; N267-L269 PolarHBondContact O-N 3.49Å; N267-L269 WeakPolarHBondContact OD1-CB 3.39Å; N267-L269 PolarHBondContact OD1-N 2.79Å; L269-L273 WeakPolarHBondContact O-CB 3.45Å; L269-L273 PolarHBondContact O-N 2.96Å |
| 270 | I | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.2 | -49.8 | 169.2 | -62.3 | -73.4 | 0 | 0 | 0 | 109.3 | F111 L114 E117 Y265 N267 Q268 K272 L273 K274 | F111-I270 HydrophobicContact CD1-CD1 3.88Å; F111-I270 HydrophobicContact CD1-CG2 4.41Å; F111-I270 HydrophobicContact CE1-CG2 4.26Å; L114-I270 HydrophobicContact CB-CD1 3.5Å; L114-I270 VanDerWaalsContact CB-CD1 3.5Å; L114-I270 HydrophobicContact CB-CG1 4.17Å; L114-I270 HydrophobicContact CD1-CD1 4.45Å; E117-I270 HydrophobicContact CB-CG2 4.1Å; E117-I270 HydrophobicContact CG-CG1 4.33Å; E117-I270 HydrophobicContact CG-CG2 4.4Å; Y265-I270 HydrophobicContact CD1-CG2 4.09Å; Y265-I270 HydrophobicContact CE1-CG2 4.23Å; N267-I270 HydrophobicContact CB-CB 4.29Å; N267-I270 HydrophobicContact CB-CG1 3.86Å; N267-I270 WeakPolarHBondContact O-CB 3.39Å; N267-I270 PolarHBondContact O-N 3.16Å; Q268-I270 VanDerWaalsContact C-N 3.33Å; I270-K272 VanDerWaalsContact C-N 3.3Å; I270-K272 PolarHBondContact O-N 2.96Å; I270-L273 PolarHBondContact O-N 2.73Å; I270-L273 VanDerWaalsContact O-N 3.16Å; I270-K274 HydrophobicContact CG2-CD 4.45Å; I270-K274 HydrophobicContact CG2-CG 4Å; I270-K274 WeakPolarHBondContact O-CG 3.46Å; I270-K274 PolarHBondContact O-N 3.06Å |
| 271 | T | 97.5 | Very high | 97.1 | Very high | 31 Ų | 31 | 54.3 Ų | 54.3 | 19% | 0.19 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -51.1 | -48.9 | 177.4 | -51.8 | 0 | 0 | 0 | 0 | 111.8 | Y265 N267 Q268 K274 I275 | Y265-T271 WeakPolarHBondContact CB-OG1 3.17Å; Y265-T271 HydrophobicContact CD2-CG2 4.34Å; N267-T271 PolarHBondContact O-N 3.14Å; N267-T271 VanDerWaalsContact O-N 3.15Å; Q268-T271 WeakPolarHBondContact O-CB 3.28Å; Q268-T271 PolarHBondContact O-N 2.74Å; Q268-T271 PolarHBondContact OE1-OG1 2.82Å; Q268-T271 VanDerWaalsContact OE1-OG1 3.07Å; T271-K274 PolarHBondContact O-N 3.11Å; T271-I275 HydrophobicContact CG2-CD1 4.06Å; T271-I275 WeakPolarHBondContact O-CG1 3.43Å; T271-I275 PolarHBondContact O-N 3.09Å |
| 272 | K | 96.9 | Very high | 96.7 | Very high | 132 Ų | 132 | 60.9 Ų | 60.9 | 57% | 0.574 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -60.9 | -51.6 | 176.9 | -178.7 | 171.3 | -179.1 | 177.5 | 0 | 111.8 | Q268 I270 K274 I275 D276 | Q268-K272 PolarHBondContact O-N 2.92Å; I270-K272 VanDerWaalsContact C-N 3.3Å; I270-K272 PolarHBondContact O-N 2.96Å; K272-K274 VanDerWaalsContact C-N 3.27Å; K272-K274 PolarHBondContact O-N 3.49Å; K272-I275 WeakPolarHBondContact O-CA 3.44Å; K272-I275 WeakPolarHBondContact O-CB 3.35Å; K272-I275 PolarHBondContact O-N 3.05Å; K272-D276 VanDerWaalsContact CE-OD2 3.29Å; K272-D276 WeakPolarHBondContact CE-OD2 3.29Å; K272-D276 VanDerWaalsContact CG-OD2 3.27Å; K272-D276 WeakPolarHBondContact CG-OD2 3.36Å; K272-D276 PolarHBondContact O-N 3.08Å |
| 273 | L | 97.8 | Very high | 96.3 | Very high | 33 Ų | 33 | 64 Ų | 64 | 17% | 0.173 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.6 | -33.6 | -179.9 | -172.8 | 63.4 | 0 | 0 | 0 | 112.4 | K110 F111 L114 L269 I270 S277 | K110-L273 HydrophobicContact CB-CD2 4Å; F111-L273 HydrophobicContact CD1-CD2 3.7Å; F111-L273 HydrophobicContact CD1-CG 4.29Å; F111-L273 HydrophobicContact CD2-CD2 4.04Å; F111-L273 HydrophobicContact CE1-CB 3.88Å; F111-L273 HydrophobicContact CE1-CD2 3.67Å; F111-L273 HydrophobicContact CE1-CG 3.72Å; F111-L273 HydrophobicContact CE2-CD2 4.02Å; F111-L273 HydrophobicContact CE2-CG 4Å; F111-L273 HydrophobicContact CG-CD2 3.88Å; F111-L273 HydrophobicContact CZ-CB 4.05Å; F111-L273 HydrophobicContact CZ-CD2 3.83Å; F111-L273 HydrophobicContact CZ-CG 3.56Å; L114-L273 HydrophobicContact CD1-CD2 3.95Å; L269-L273 WeakPolarHBondContact O-CB 3.45Å; L269-L273 PolarHBondContact O-N 2.96Å; I270-L273 PolarHBondContact O-N 2.73Å; I270-L273 VanDerWaalsContact O-N 3.16Å; L273-S277 WeakPolarHBondContact O-CB 3.32Å; L273-S277 PolarHBondContact O-N 3.01Å; L273-S277 PolarHBondContact O-OG 3.48Å |
| 274 | K | 98 | Very high | 95.9 | Very high | 7 Ų | 7 | 66.8 Ų | 66.8 | 3% | 0.03 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.4 | -44 | 171.1 | -61 | -75.6 | -170 | -148.7 | 0 | 111.2 | F111 E117 F128 Y265 I270 T271 K272 N278 | F111-K274 HydrophobicContact CD1-CD 4.5Å; F111-K274 HydrophobicContact CE1-CD 3.54Å; F111-K274 HydrophobicContact CE1-CG 3.84Å; F111-K274 HydrophobicContact CZ-CD 3.68Å; F111-K274 HydrophobicContact CZ-CG 4.12Å; E117-K274 WeakPolarHBondContact O-CE 3.33Å; E117-K274 PolarHBondContact O-NZ 3.41Å; F128-K274 HydrophobicContact CD1-CD 3.87Å; F128-K274 PolarHBondContact O-NZ 3.27Å; Y265-K274 HydrophobicContact CE1-CD 4.34Å; Y265-K274 HydrophobicContact CE1-CG 4.17Å; Y265-K274 HydrophobicContact CE2-CG 4.12Å; Y265-K274 WeakPolarHBondContact OH-CD 3.4Å; Y265-K274 WeakPolarHBondContact OH-CE 3.4Å; I270-K274 HydrophobicContact CG2-CD 4.45Å; I270-K274 HydrophobicContact CG2-CG 4Å; I270-K274 WeakPolarHBondContact O-CG 3.46Å; I270-K274 PolarHBondContact O-N 3.06Å; T271-K274 PolarHBondContact O-N 3.11Å; K272-K274 VanDerWaalsContact C-N 3.27Å; K272-K274 PolarHBondContact O-N 3.49Å; K274-N278 WeakPolarHBondContact O-CB 3.33Å; K274-N278 PolarHBondContact O-N 2.93Å |
| 275 | I | 96.8 | Very high | 95.5 | Very high | 40 Ų | 40 | 67.6 Ų | 67.6 | 21% | 0.205 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.3 | -48.2 | 178.9 | -71.8 | 165.9 | 0 | 0 | 0 | 111.1 | T271 K272 A281 F284 R285 | T271-I275 HydrophobicContact CG2-CD1 4.06Å; T271-I275 WeakPolarHBondContact O-CG1 3.43Å; T271-I275 PolarHBondContact O-N 3.09Å; K272-I275 WeakPolarHBondContact O-CA 3.44Å; K272-I275 WeakPolarHBondContact O-CB 3.35Å; K272-I275 PolarHBondContact O-N 3.05Å; I275-A281 HydrophobicContact CG1-CB 4.47Å; I275-F284 HydrophobicContact CD1-CB 4.03Å; I275-F284 HydrophobicContact CG1-CB 4.09Å; I275-F284 HydrophobicContact CG2-CB 3.95Å; I275-R285 HydrophobicContact CG2-CB 4.38Å; I275-R285 HydrophobicContact CG2-CG 3.58Å; I275-R285 VanDerWaalsContact O-CZ 3.28Å; I275-R285 PolarHBondContact O-NE 2.82Å; I275-R285 PolarHBondContact O-NH2 2.79Å |
| 276 | D | 96.6 | Very high | 94.2 | Very high | 72 Ų | 72 | 68.7 Ų | 68.7 | 39% | 0.385 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70.6 | -31.2 | -176.5 | -66.5 | -20.8 | 0 | 0 | 0 | 112.7 | K272 R285 | K272-D276 VanDerWaalsContact CE-OD2 3.29Å; K272-D276 WeakPolarHBondContact CE-OD2 3.29Å; K272-D276 VanDerWaalsContact CG-OD2 3.27Å; K272-D276 WeakPolarHBondContact CG-OD2 3.36Å; K272-D276 PolarHBondContact O-N 3.08Å; D276-R285 VanDerWaalsContact C-NH2 3.31Å; D276-R285 PolarHBondContact O-NH1 2.82Å; D276-R285 VanDerWaalsContact O-NH1 3.12Å; D276-R285 PolarHBondContact O-NH2 3.23Å |
| 277 | S | 96.1 | Very high | 92.5 | Very high | 38 Ų | 38 | 70.2 Ų | 70.2 | 27% | 0.266 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -96.5 | -31.6 | -177.1 | -50.7 | 0 | 0 | 0 | 0 | 114.2 | L273 P279 | L273-S277 WeakPolarHBondContact O-CB 3.32Å; L273-S277 PolarHBondContact O-N 3.01Å; L273-S277 PolarHBondContact O-OG 3.48Å; S277-P279 WeakPolarHBondContact O-CD 3.38Å |
| 278 | N | 95.7 | Very high | 90.7 | Very high | 26 Ų | 26 | 72.9 Ų | 72.9 | 14% | 0.139 | 39% | 0.388 | C | S | . | . | trans | -86.2 | 122.1 | -174.8 | -170.3 | -22.2 | 0 | 0 | 0 | 111.6 | F128 K274 F280 A281 R285 | F128-N278 HydrophobicContact CD1-CB 4.02Å; F128-N278 HydrophobicContact CD2-CB 3.95Å; F128-N278 WeakPolarHBondContact CD2-ND2 3.35Å; F128-N278 HydrophobicContact CE1-CB 3.83Å; F128-N278 HydrophobicContact CE2-CB 3.74Å; F128-N278 HydrophobicContact CG-CB 4.09Å; F128-N278 WeakPolarHBondContact CG-ND2 3.28Å; F128-N278 HydrophobicContact CZ-CB 3.69Å; K274-N278 WeakPolarHBondContact O-CB 3.33Å; K274-N278 PolarHBondContact O-N 2.93Å; N278-F280 VanDerWaalsContact C-N 3.26Å; N278-F280 PolarHBondContact O-N 3.39Å; N278-F280 WeakPolarHBondContact OD1-CB 3.32Å; N278-F280 WeakPolarHBondContact OD1-CD2 3.46Å; N278-F280 PolarHBondContact OD1-N 3.05Å; N278-A281 HydrophobicContact CB-CB 4.07Å; N278-A281 PolarHBondContact O-N 2.88Å; N278-R285 PolarHBondContact O-NH2 3Å; N278-R285 VanDerWaalsContact O-NH2 3.09Å | ||
| 279 | P | 94.8 | Very high | 88.8 | Confident | 95 Ų | 95 | 75.1 Ų | 75.1 | 62% | 0.617 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -57.4 | -36.7 | 176.1 | -25.8 | 35.5 | 0 | 0 | 0 | 113.4 | S277 A281 K282 | S277-P279 WeakPolarHBondContact O-CD 3.38Å; P279-A281 PolarHBondContact O-N 3.4Å; P279-K282 WeakPolarHBondContact O-CB 3.39Å; P279-K282 PolarHBondContact O-N 2.98Å |
| 280 | F | 93.4 | Very high | 86.9 | Confident | 187 Ų | 187 | 74.9 Ų | 74.9 | 82% | 0.82 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -72.6 | -6.2 | 179.2 | -59.5 | -75.1 | 0 | 0 | 0 | 113.7 | N278 | N278-F280 VanDerWaalsContact C-N 3.26Å; N278-F280 PolarHBondContact O-N 3.39Å; N278-F280 WeakPolarHBondContact OD1-CB 3.32Å; N278-F280 WeakPolarHBondContact OD1-CD2 3.46Å; N278-F280 PolarHBondContact OD1-N 3.05Å |
| 281 | A | 93.1 | Very high | 85.1 | Confident | 15 Ų | 15 | 77.8 Ų | 77.8 | 12% | 0.124 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -106.4 | 5.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I275 N278 P279 G283 F284 | I275-A281 HydrophobicContact CG1-CB 4.47Å; N278-A281 HydrophobicContact CB-CB 4.07Å; N278-A281 PolarHBondContact O-N 2.88Å; P279-A281 PolarHBondContact O-N 3.4Å; A281-G283 VanDerWaalsContact C-N 3.25Å; A281-G283 PolarHBondContact O-N 2.89Å; A281-G283 VanDerWaalsContact O-N 3.1Å; A281-F284 PolarHBondContact O-N 2.84Å |
| 282 | K | 90.4 | Very high | 83.3 | Confident | 139 Ų | 139 | 81.1 Ų | 81.1 | 60% | 0.604 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -50.5 | -40.5 | -173.6 | -174.8 | -178.7 | 176.2 | -175.5 | 0 | 113.8 | P279 F284 R285 | P279-K282 WeakPolarHBondContact O-CB 3.39Å; P279-K282 PolarHBondContact O-N 2.98Å; K282-F284 PolarHBondContact O-N 3.25Å; K282-F284 VanDerWaalsContact O-N 3.1Å; K282-R285 WeakPolarHBondContact O-CB 3.26Å; K282-R285 WeakPolarHBondContact O-CG 3.42Å; K282-R285 PolarHBondContact O-N 3.12Å; K282-R285 VanDerWaalsContact O-N 3.07Å |
| 283 | G | 90.7 | Very high | 81.4 | Confident | 65 Ų | 65 | 80.8 Ų | 80.8 | 67% | 0.67 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -63 | -14.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | A281 | A281-G283 VanDerWaalsContact C-N 3.25Å; A281-G283 PolarHBondContact O-N 2.89Å; A281-G283 VanDerWaalsContact O-N 3.1Å |
| 284 | F | 89.2 | Confident | 79.7 | Confident | 140 Ų | 140 | 85.1 Ų | 85.1 | 61% | 0.614 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -92.1 | -7 | 176 | -63.4 | -77.2 | 0 | 0 | 0 | 113.6 | I275 A281 K282 | I275-F284 HydrophobicContact CD1-CB 4.03Å; I275-F284 HydrophobicContact CG1-CB 4.09Å; I275-F284 HydrophobicContact CG2-CB 3.95Å; A281-F284 PolarHBondContact O-N 2.84Å; K282-F284 PolarHBondContact O-N 3.25Å; K282-F284 VanDerWaalsContact O-N 3.1Å |
| 285 | R | 90.4 | Very high | 77.9 | Confident | 73 Ų | 73 | 92.5 Ų | 92.5 | 28% | 0.275 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -49.9 | -179.5 | -65.7 | 173.1 | -167.1 | -161.8 | 3.1 | 110.9 | I275 D276 N278 K282 S287 S288 | I275-R285 HydrophobicContact CG2-CB 4.38Å; I275-R285 HydrophobicContact CG2-CG 3.58Å; I275-R285 VanDerWaalsContact O-CZ 3.28Å; I275-R285 PolarHBondContact O-NE 2.82Å; I275-R285 PolarHBondContact O-NH2 2.79Å; D276-R285 VanDerWaalsContact C-NH2 3.31Å; D276-R285 PolarHBondContact O-NH1 2.82Å; D276-R285 VanDerWaalsContact O-NH1 3.12Å; D276-R285 PolarHBondContact O-NH2 3.23Å; N278-R285 PolarHBondContact O-NH2 3Å; N278-R285 VanDerWaalsContact O-NH2 3.09Å; K282-R285 WeakPolarHBondContact O-CB 3.26Å; K282-R285 WeakPolarHBondContact O-CG 3.42Å; K282-R285 PolarHBondContact O-N 3.12Å; K282-R285 VanDerWaalsContact O-N 3.07Å; R285-S287 VanDerWaalsContact C-N 3.3Å; R285-S287 PolarHBondContact O-N 2.85Å; R285-S288 PolarHBondContact O-N 3.38Å; R285-S288 PolarHBondContact O-OG 2.87Å |
| 286 | D | 71.3 | Confident | 76.1 | Confident | 83 Ų | 83 | 96.5 Ų | 96.5 | 44% | 0.444 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -23.8 | -174.3 | -57.4 | -62.7 | 0 | 0 | 0 | 113 | S288 R289 L290 | D286-S288 PolarHBondContact O-N 3.25Å; D286-R289 PolarHBondContact O-N 3.38Å; D286-L290 PolarHBondContact O-N 3.26Å; D286-L290 VanDerWaalsContact O-N 3.16Å |
| 287 | S | 63.3 | Low | 74.7 | Confident | 63 Ų | 63 | 96.8 Ų | 96.8 | 44% | 0.441 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.9 | -28.6 | 172.4 | -52.3 | 0 | 0 | 0 | 0 | 113.4 | R285 R289 | R285-S287 VanDerWaalsContact C-N 3.3Å; R285-S287 PolarHBondContact O-N 2.85Å; S287-R289 VanDerWaalsContact C-N 3.34Å |
| 288 | S | 59.4 | Low | 73.2 | Confident | 70 Ų | 70 | 99 Ų | 99 | 49% | 0.49 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.4 | -31.5 | 174 | 67.1 | 0 | 0 | 0 | 0 | 112.9 | R285 D286 T291 | R285-S288 PolarHBondContact O-N 3.38Å; R285-S288 PolarHBondContact O-OG 2.87Å; D286-S288 PolarHBondContact O-N 3.25Å; S288-T291 PolarHBondContact O-OG1 2.96Å |
| 289 | R | 58.3 | Low | 71.6 | Confident | 167 Ų | 167 | 104.1 Ų | 104.1 | 63% | 0.63 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -83 | -30.8 | -176.7 | -56.7 | 179.3 | 66.2 | -166.3 | 0.3 | 112.2 | D286 S287 T291 D292 M293 | D286-R289 PolarHBondContact O-N 3.38Å; S287-R289 VanDerWaalsContact C-N 3.34Å; R289-T291 VanDerWaalsContact C-N 3.34Å; R289-D292 PolarHBondContact O-N 3.34Å; R289-M293 PolarHBondContact O-N 2.78Å; R289-M293 VanDerWaalsContact O-N 3.13Å |
| 290 | L | 57 | Low | 70.1 | Confident | 96 Ų | 96 | 104.1 Ų | 104.1 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | 176 | -68.2 | 175.3 | 0 | 0 | 0 | 111.3 | D286 D292 M293 E294 | D286-L290 PolarHBondContact O-N 3.26Å; D286-L290 VanDerWaalsContact O-N 3.16Å; L290-D292 PolarHBondContact O-N 2.89Å; L290-D292 VanDerWaalsContact O-N 3.13Å; L290-M293 PolarHBondContact O-N 3.14Å; L290-E294 WeakPolarHBondContact O-CB 3.31Å; L290-E294 VanDerWaalsContact O-CG 3.31Å; L290-E294 WeakPolarHBondContact O-CG 3.42Å; L290-E294 PolarHBondContact O-N 3Å |
| 291 | T | 59.7 | Low | 68.7 | Low | 62 Ų | 62 | 99.8 Ų | 99.8 | 38% | 0.38 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.6 | -11.7 | 177.9 | 50.6 | 0 | 0 | 0 | 0 | 114.9 | S288 R289 R295 | S288-T291 PolarHBondContact O-OG1 2.96Å; R289-T291 VanDerWaalsContact C-N 3.34Å; T291-R295 WeakPolarHBondContact O-CG 3.12Å; T291-R295 PolarHBondContact O-NH1 3.4Å |
| 292 | D | 59.7 | Low | 67.4 | Low | 100 Ų | 100 | 104 Ų | 104 | 54% | 0.535 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -91.8 | -45 | 173.7 | -62 | -21.8 | 0 | 0 | 0 | 110.1 | R289 L290 E294 R295 E296 | R289-D292 PolarHBondContact O-N 3.34Å; L290-D292 PolarHBondContact O-N 2.89Å; L290-D292 VanDerWaalsContact O-N 3.13Å; D292-E294 VanDerWaalsContact C-N 3.32Å; D292-E294 PolarHBondContact O-N 3.48Å; D292-R295 WeakPolarHBondContact O-CB 3.46Å; D292-R295 PolarHBondContact O-N 3.23Å; D292-E296 WeakPolarHBondContact O-CB 3.43Å; D292-E296 PolarHBondContact O-N 3.25Å |
| 293 | M | 59 | Low | 66 | Low | 126 Ų | 126 | 102.4 Ų | 102.4 | 62% | 0.621 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.9 | -36.5 | 171.6 | -72.7 | -179.8 | 62.5 | 0 | 0 | 112.9 | R289 L290 E296 S297 | R289-M293 PolarHBondContact O-N 2.78Å; R289-M293 VanDerWaalsContact O-N 3.13Å; L290-M293 PolarHBondContact O-N 3.14Å; M293-E296 PolarHBondContact O-N 2.99Å; M293-S297 VanDerWaalsContact O-CB 3.23Å; M293-S297 WeakPolarHBondContact O-CB 3.39Å; M293-S297 PolarHBondContact O-N 2.95Å |
| 294 | E | 60.8 | Low | 64.3 | Low | 124 Ų | 124 | 107 Ų | 107 | 58% | 0.579 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.8 | -37.3 | 175 | -73.5 | 175.9 | 147.4 | 0 | 0 | 111.6 | L290 D292 V298 | L290-E294 WeakPolarHBondContact O-CB 3.31Å; L290-E294 VanDerWaalsContact O-CG 3.31Å; L290-E294 WeakPolarHBondContact O-CG 3.42Å; L290-E294 PolarHBondContact O-N 3Å; D292-E294 VanDerWaalsContact C-N 3.32Å; D292-E294 PolarHBondContact O-N 3.48Å; E294-V298 WeakPolarHBondContact O-CB 3.48Å; E294-V298 VanDerWaalsContact O-CG2 3.31Å; E294-V298 WeakPolarHBondContact O-CG2 3.39Å; E294-V298 PolarHBondContact O-N 3.34Å |
| 295 | R | 59.6 | Low | 62.7 | Low | 161 Ų | 161 | 106 Ų | 106 | 61% | 0.608 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.1 | -50.3 | 171.4 | -84.8 | 179.6 | 176.7 | 81.9 | -0.3 | 111.5 | T291 D292 S297 V298 E299 | T291-R295 WeakPolarHBondContact O-CG 3.12Å; T291-R295 PolarHBondContact O-NH1 3.4Å; D292-R295 WeakPolarHBondContact O-CB 3.46Å; D292-R295 PolarHBondContact O-N 3.23Å; R295-S297 VanDerWaalsContact C-N 3.26Å; R295-S297 PolarHBondContact O-N 3.31Å; R295-V298 PolarHBondContact O-N 3.36Å; R295-V298 VanDerWaalsContact O-N 3.14Å; R295-E299 WeakPolarHBondContact O-CB 3.23Å; R295-E299 PolarHBondContact O-N 3.38Å |
| 296 | E | 59.7 | Low | 60.9 | Low | 124 Ų | 124 | 106.1 Ų | 106.1 | 58% | 0.579 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.9 | -36.6 | 179.9 | -169.8 | 173.3 | -126.2 | 0 | 0 | 111.3 | D292 M293 N300 | D292-E296 WeakPolarHBondContact O-CB 3.43Å; D292-E296 PolarHBondContact O-N 3.25Å; M293-E296 PolarHBondContact O-N 2.99Å; E296-N300 VanDerWaalsContact O-CB 3.29Å; E296-N300 WeakPolarHBondContact O-CB 3.3Å; E296-N300 PolarHBondContact O-N 3.45Å; E296-N300 PolarHBondContact O-ND2 3.11Å |
| 297 | S | 66.5 | Low | 60.1 | Low | 79 Ų | 79 | 110.9 Ų | 110.9 | 55% | 0.552 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.2 | -44.9 | 172.9 | -172.9 | 0 | 0 | 0 | 0 | 112.7 | M293 R295 L301 | M293-S297 VanDerWaalsContact O-CB 3.23Å; M293-S297 WeakPolarHBondContact O-CB 3.39Å; M293-S297 PolarHBondContact O-N 2.95Å; R295-S297 VanDerWaalsContact C-N 3.26Å; R295-S297 PolarHBondContact O-N 3.31Å; S297-L301 WeakPolarHBondContact O-CB 3.48Å; S297-L301 PolarHBondContact O-N 2.86Å |
| 298 | V | 64.5 | Low | 59.6 | Low | 83 Ų | 83 | 111.2 Ų | 111.2 | 50% | 0.503 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.5 | -39.2 | 175.8 | 168.3 | 0 | 0 | 0 | 0 | 111.6 | E294 R295 L301 I302 | E294-V298 WeakPolarHBondContact O-CB 3.48Å; E294-V298 VanDerWaalsContact O-CG2 3.31Å; E294-V298 WeakPolarHBondContact O-CG2 3.39Å; E294-V298 PolarHBondContact O-N 3.34Å; R295-V298 PolarHBondContact O-N 3.36Å; R295-V298 VanDerWaalsContact O-N 3.14Å; V298-L301 WeakPolarHBondContact O-CB 3.39Å; V298-L301 PolarHBondContact O-N 3.37Å; V298-I302 HydrophobicContact CG1-CD1 3.89Å; V298-I302 VanDerWaalsContact O-CG1 3.3Å; V298-I302 WeakPolarHBondContact O-CG1 3.48Å; V298-I302 PolarHBondContact O-N 3.01Å |
| 299 | E | 62.2 | Low | 59 | Low | 135 Ų | 135 | 118.2 Ų | 118.2 | 63% | 0.631 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.5 | -43.5 | 177.4 | -173.1 | 161.3 | -160.9 | 0 | 0 | 111.2 | R295 L301 I302 H303 | R295-E299 WeakPolarHBondContact O-CB 3.23Å; R295-E299 PolarHBondContact O-N 3.38Å; E299-L301 VanDerWaalsContact C-N 3.29Å; E299-L301 PolarHBondContact O-N 3.07Å; E299-I302 PolarHBondContact O-N 3.22Å; E299-H303 WeakPolarHBondContact O-CB 3.31Å; E299-H303 PolarHBondContact O-N 3.15Å |
| 300 | N | 63.8 | Low | 58.1 | Low | 95 Ų | 95 | 115.8 Ų | 115.8 | 51% | 0.508 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -60.4 | -35.9 | 170.7 | -86.7 | -75.1 | 0 | 0 | 0 | 112.9 | E296 K304 | E296-N300 VanDerWaalsContact O-CB 3.29Å; E296-N300 WeakPolarHBondContact O-CB 3.3Å; E296-N300 PolarHBondContact O-N 3.45Å; E296-N300 PolarHBondContact O-ND2 3.11Å; N300-K304 WeakPolarHBondContact O-CG 3.43Å; N300-K304 PolarHBondContact O-N 3.23Å |
| 301 | L | 65.3 | Low | 57.8 | Low | 95 Ų | 95 | 116.6 Ų | 116.6 | 50% | 0.497 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69 | -42.7 | 175.4 | -178.4 | 60.5 | 0 | 0 | 0 | 111.7 | S297 V298 E299 K304 H305 | S297-L301 WeakPolarHBondContact O-CB 3.48Å; S297-L301 PolarHBondContact O-N 2.86Å; V298-L301 WeakPolarHBondContact O-CB 3.39Å; V298-L301 PolarHBondContact O-N 3.37Å; E299-L301 VanDerWaalsContact C-N 3.29Å; E299-L301 PolarHBondContact O-N 3.07Å; L301-K304 PolarHBondContact O-N 3.4Å; L301-H305 PolarHBondContact O-CD2 3.44Å; L301-H305 PolarHBondContact O-N 3.07Å |
| 302 | I | 65.6 | Low | 56.9 | Low | 103 Ų | 103 | 121.6 Ų | 121.6 | 53% | 0.528 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -60.7 | -47.2 | 172.8 | -70 | 164.6 | 0 | 0 | 0 | 109.9 | V298 E299 K304 H305 S306 | V298-I302 HydrophobicContact CG1-CD1 3.89Å; V298-I302 VanDerWaalsContact O-CG1 3.3Å; V298-I302 WeakPolarHBondContact O-CG1 3.48Å; V298-I302 PolarHBondContact O-N 3.01Å; E299-I302 PolarHBondContact O-N 3.22Å; I302-K304 VanDerWaalsContact C-N 3.34Å; I302-K304 PolarHBondContact O-N 3.35Å; I302-H305 CarbonylContact O-C 3.53Å; I302-H305 WeakPolarHBondContact O-CA 3.17Å; I302-H305 PolarHBondContact O-N 3.18Å; I302-S306 PolarHBondContact O-N 3.39Å; I302-S306 PolarHBondContact O-OG 2.97Å; I302-S306 VanDerWaalsContact O-OG 3.12Å |
| 303 | H | 59.8 | Low | 55.8 | Low | 106 Ų | 106 | 128.2 Ų | 128.2 | 49% | 0.491 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -59.5 | -42.9 | 179.1 | -139.4 | 76.7 | 0 | 0 | 0 | 111.5 | E299 H305 S306 Y307 | E299-H303 WeakPolarHBondContact O-CB 3.31Å; E299-H303 PolarHBondContact O-N 3.15Å; H303-H305 VanDerWaalsContact C-N 3.34Å; H303-H305 PolarHBondContact O-N 2.9Å; H303-S306 WeakPolarHBondContact O-CB 3.48Å; H303-S306 PolarHBondContact O-N 3.14Å; H303-Y307 AromaticContact CD2-CE2 3.7Å; H303-Y307 WeakPolarHBondContact O-CD2 3.4Å; H303-Y307 PolarHBondContact O-N 2.95Å |
| 304 | K | 55.1 | Low | 54.6 | Low | 161 Ų | 161 | 127.4 Ų | 127.4 | 70% | 0.7 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -62 | -36.8 | 172.1 | -80.7 | 179.5 | 175 | 176 | 0 | 113.2 | N300 L301 I302 | N300-K304 WeakPolarHBondContact O-CG 3.43Å; N300-K304 PolarHBondContact O-N 3.23Å; L301-K304 PolarHBondContact O-N 3.4Å; I302-K304 VanDerWaalsContact C-N 3.34Å; I302-K304 PolarHBondContact O-N 3.35Å |
| 305 | H | 55.2 | Low | 53.3 | Low | 121 Ų | 121 | 133.2 Ų | 133.2 | 56% | 0.56 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -75 | -26 | 175.3 | -78.7 | -59.9 | 0 | 0 | 0 | 113.7 | L301 I302 H303 A308 | L301-H305 PolarHBondContact O-CD2 3.44Å; L301-H305 PolarHBondContact O-N 3.07Å; I302-H305 CarbonylContact O-C 3.53Å; I302-H305 WeakPolarHBondContact O-CA 3.17Å; I302-H305 PolarHBondContact O-N 3.18Å; H303-H305 VanDerWaalsContact C-N 3.34Å; H303-H305 PolarHBondContact O-N 2.9Å; H305-A308 WeakPolarHBondContact O-CB 3.32Å; H305-A308 PolarHBondContact O-N 3.46Å; H305-A308 VanDerWaalsContact O-N 3.07Å |
| 306 | S | 52.4 | Low | 52.2 | Low | 74 Ų | 74 | 130.4 Ų | 130.4 | 52% | 0.517 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -60.7 | -43.7 | 173 | -59.6 | 0 | 0 | 0 | 0 | 111.9 | I302 H303 A308 | I302-S306 PolarHBondContact O-N 3.39Å; I302-S306 PolarHBondContact O-OG 2.97Å; I302-S306 VanDerWaalsContact O-OG 3.12Å; H303-S306 WeakPolarHBondContact O-CB 3.48Å; H303-S306 PolarHBondContact O-N 3.14Å; S306-A308 PolarHBondContact O-N 3.2Å |
| 307 | Y | 54.4 | Low | 50.9 | Low | 184 Ų | 184 | 127.6 Ų | 127.6 | 72% | 0.722 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -11.5 | 174.5 | -66.1 | -73.4 | 0 | 0 | 0 | 114 | H303 | H303-Y307 AromaticContact CD2-CE2 3.7Å; H303-Y307 WeakPolarHBondContact O-CD2 3.4Å; H303-Y307 PolarHBondContact O-N 2.95Å |
| 308 | A | 53.5 | Low | 49.4 | Very low | 70 Ų | 70 | 131.1 Ų | 131.1 | 58% | 0.579 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | 3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | H305 S306 | H305-A308 WeakPolarHBondContact O-CB 3.32Å; H305-A308 PolarHBondContact O-N 3.46Å; H305-A308 VanDerWaalsContact O-N 3.07Å; S306-A308 PolarHBondContact O-N 3.2Å |
| 309 | R | 47.2 | Very low | 48 | Very low | 217 Ų | 217 | 135.7 Ų | 135.7 | 82% | 0.819 | 70% | 0.698 | S | S | * | * | trans | -132.1 | 83.1 | 177.6 | -80 | -168.5 | 173.8 | -112.8 | 2.1 | 113.6 | ||||
| 310 | S | 40.1 | Very low | 46.6 | Very low | 116 Ų | 116 | 136.6 Ų | 136.6 | 81% | 0.811 | 70% | 0.702 | S | S | * | * | trans | -123.8 | 91.6 | 162.9 | -68.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 311 | P | 49.2 | Very low | 45.1 | Very low | 113 Ų | 113 | 138 Ų | 138 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | trans | -105.1 | 71.2 | 178.8 | 37.9 | -29.7 | 0 | 0 | 0 | 111.9 | ||||
| 312 | I | 41.3 | Very low | 43.6 | Very low | 166 Ų | 166 | 141.2 Ų | 141.2 | 85% | 0.851 | 73% | 0.726 | S | S | * | * | trans | -127.7 | 86.8 | 175.3 | -60.2 | -174.6 | 0 | 0 | 0 | 111.9 | ||||
| 313 | R | 36.2 | Very low | 42 | Very low | 239 Ų | 239 | 140.4 Ų | 140.4 | 90% | 0.902 | 73% | 0.73 | S | S | * | * | trans | -170.7 | 142.2 | 145.7 | -113.8 | -177.2 | 170.2 | 173.6 | -2.9 | 105.5 | ||||
| 314 | T | 33.6 | Very low | 40.8 | Very low | 110 Ų | 110 | 143 Ų | 143 | 68% | 0.675 | 74% | 0.742 | S | S | * | * | cis | -137.3 | 139.9 | 16.9 | 49.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 315 | Y | 35.1 | Very low | 39.9 | Very low | 246 Ų | 246 | 143.2 Ų | 143.2 | 97% | 0.965 | 75% | 0.751 | S | S | * | * | trans | -125.1 | 137.8 | 134 | -104.9 | -94.4 | 0 | 0 | 0 | 106.7 | ||||
| 316 | A | 34.8 | Very low | 38.9 | Very low | 102 Ų | 102 | 141 Ų | 141 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | trans | -132.5 | 118.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 317 | G | 33.2 | Very low | 38.1 | Very low | 64 Ų | 64 | 145.6 Ų | 145.6 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | trans | -153.6 | 135.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 318 | D | 34.6 | Very low | 37 | Very low | 153 Ų | 153 | 142 Ų | 142 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | 70.3 | 97.9 | 150.7 | -44.2 | -24 | 0 | 0 | 0 | 119.7 | ||||
| 319 | E | 35 | Very low | 36.2 | Very low | 180 Ų | 180 | 145 Ų | 145 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | 80.9 | 134.9 | 124 | -60.1 | -161.7 | 136.1 | 0 | 0 | 124.4 | |||||
| 320 | E | 34.3 | Very low | 35.6 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | trans | 58 | 103.4 | 142.9 | -61.6 | -115.3 | 86.3 | 0 | 0 | 122.7 | ||||
| 321 | N | 30.8 | Very low | 35.1 | Very low | 123 Ų | 123 | 142.4 Ų | 142.4 | 66% | 0.658 | 77% | 0.773 | S | S | * | * | 54.8 | 123.6 | 117.2 | -74.5 | -41.9 | 0 | 0 | 0 | 122.8 | |||||
| 322 | L | 34.7 | Very low | 34.5 | Very low | 163 Ų | 163 | 149 Ų | 149 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | 66.5 | 131.8 | 147.7 | -56 | 164.1 | 0 | 0 | 0 | 117.5 | ||||
| 323 | S | 31.8 | Very low | 33.9 | Very low | 87 Ų | 87 | 144.8 Ų | 144.8 | 61% | 0.608 | 78% | 0.781 | S | S | * | * | cis | -158.6 | -150.2 | -9.7 | -145.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 324 | E | 34.9 | Very low | 33.9 | Very low | 161 Ų | 161 | 139.2 Ų | 139.2 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | cis | -153.9 | -131.5 | 9.8 | -157 | 76.9 | 89.4 | 0 | 0 | 110.4 | ||||
| 325 | D | 35.8 | Very low | 33.8 | Very low | 165 Ų | 165 | 138 Ų | 138 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | trans | -71.7 | 162.5 | -174 | -78.2 | -43.2 | 0 | 0 | 0 | 117.5 | ||||
| 326 | G | 33.3 | Very low | 33.8 | Very low | 73 Ų | 73 | 135.1 Ų | 135.1 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | trans | -171.5 | -0 | 176.3 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 327 | H | 36.4 | Very low | 33.8 | Very low | 171 Ų | 171 | 136.1 Ų | 136.1 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | trans | 63 | 113.6 | 165.7 | -111.2 | -84.7 | 0 | 0 | 0 | 121.7 | ||||
| 328 | T | 31.8 | Very low | 33.8 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 67% | 0.669 | 76% | 0.763 | S | S | * | * | trans | 55.4 | 134 | 141.4 | 51.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 329 | T | 35.2 | Very low | 33.8 | Very low | 133 Ų | 133 | 133.8 Ų | 133.8 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | -154.8 | 173.7 | 52.6 | 43.7 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 330 | H | 35.3 | Very low | 33.5 | Very low | 173 Ų | 173 | 133.4 Ų | 133.4 | 80% | 0.801 | 76% | 0.762 | S | S | * | * | trans | -63.4 | 175.8 | 176 | -67.1 | -74.8 | 0 | 0 | 0 | 116.7 | ||||
| 331 | T | 30.8 | Very low | 33.5 | Very low | 106 Ų | 106 | 132.9 Ų | 132.9 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | cis | -178.5 | 122.8 | -34.4 | -78.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 332 | R | 35.3 | Very low | 33.6 | Very low | 250 Ų | 250 | 134.6 Ų | 134.6 | 94% | 0.943 | 77% | 0.772 | S | S | * | * | trans | 42.3 | 131.2 | 155.6 | -70.7 | 176.1 | 156.6 | 163.4 | -6.5 | 122.9 | ||||
| 333 | G | 29.7 | Very low | 33.4 | Very low | 78 Ų | 78 | 131.4 Ų | 131.4 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | 151.8 | 134.3 | 142.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 334 | S | 34.9 | Very low | 33.5 | Very low | 122 Ų | 122 | 136 Ų | 136 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | cis | -159.9 | 166 | -10.8 | -162.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 335 | A | 32.7 | Very low | 33.3 | Very low | 85 Ų | 85 | 133.7 Ų | 133.7 | 70% | 0.702 | 78% | 0.782 | S | S | * | * | trans | 46 | 110.6 | 156.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 336 | F | 33.9 | Very low | 33.1 | Very low | 186 Ų | 186 | 130.7 Ų | 130.7 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | trans | -71 | 141.5 | 146.9 | 158.4 | -84 | 0 | 0 | 0 | 110.4 | A338 | F336-A338 HydrophobicContact CE1-CB 4.28Å; F336-A338 HydrophobicContact CZ-CB 3.97Å | ||
| 337 | T | 35 | Very low | 33.1 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -139.7 | 124.4 | 156.1 | 53.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 338 | A | 34 | Very low | 33 | Very low | 64 Ų | 64 | 137.3 Ų | 137.3 | 53% | 0.529 | 78% | 0.784 | S | S | . | * | trans | -62.3 | 161.5 | 153.9 | 0 | 0 | 0 | 0 | 0 | 109 | F336 | F336-A338 HydrophobicContact CE1-CB 4.28Å; F336-A338 HydrophobicContact CZ-CB 3.97Å | ||
| 339 | S | 33.2 | Very low | 32.9 | Very low | 103 Ų | 103 | 138.5 Ų | 138.5 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | cis | -157.9 | 166.6 | 35.8 | -47.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 340 | D | 29.3 | Very low | 32.7 | Very low | 172 Ų | 172 | 138.1 Ų | 138.1 | 92% | 0.92 | 79% | 0.788 | S | S | * | * | -159.5 | 153.4 | 110.4 | -104.1 | -24.5 | 0 | 0 | 0 | 112.4 | |||||
| 341 | N | 34.4 | Very low | 32.6 | Very low | 143 Ų | 143 | 135.7 Ų | 135.7 | 77% | 0.765 | 79% | 0.786 | S | S | * | * | trans | -125.8 | 129 | -175.8 | 166.9 | 19.3 | 0 | 0 | 0 | 108.2 | ||||
| 342 | L | 33.3 | Very low | 32.8 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | trans | -154.8 | 109.5 | 160.9 | -107.9 | 172.2 | 0 | 0 | 0 | 113.1 | ||||
| 343 | S | 29.6 | Very low | 32.4 | Very low | 95 Ų | 95 | 128.2 Ų | 128.2 | 66% | 0.664 | 79% | 0.789 | S | S | * | * | trans | 50.2 | 106.5 | 142.3 | -59.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 344 | L | 34 | Very low | 32.6 | Very low | 183 Ų | 183 | 134.6 Ų | 134.6 | 96% | 0.958 | 80% | 0.795 | S | S | * | * | trans | -69.6 | 134.8 | 148.4 | -74.2 | 163.1 | 0 | 0 | 0 | 110.7 | ||||
| 345 | S | 32 | Very low | 32.5 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -143.1 | 131.8 | 152.8 | 55 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 346 | S | 31.8 | Very low | 32.4 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | trans | -68.2 | 161 | 175.8 | -46.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 347 | W | 33.5 | Very low | 32.2 | Very low | 253 Ų | 253 | 135.2 Ų | 135.2 | 96% | 0.958 | 80% | 0.801 | S | S | * | * | -144.7 | 144.8 | 122.2 | -84.9 | -22.8 | 0 | 0 | 0 | 111.6 | |||||
| 348 | V | 33.1 | Very low | 32.2 | Very low | 129 Ų | 129 | 138 Ų | 138 | 78% | 0.782 | 81% | 0.806 | S | S | * | * | trans | -102 | 137.6 | 168 | 168.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 349 | T | 30.9 | Very low | 32.3 | Very low | 134 Ų | 134 | 142.2 Ų | 142.2 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | trans | -131 | 122.6 | 166 | -46.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 350 | T | 30 | Very low | 32.8 | Very low | 125 Ų | 125 | 143 Ų | 143 | 77% | 0.767 | 82% | 0.816 | S | S | * | * | trans | -82.6 | 175.1 | 176.6 | 45.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 351 | T | 32.8 | Very low | 33.2 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 75% | 0.748 | 80% | 0.804 | S | S | * | * | trans | -74.5 | 168.3 | -176.9 | 52.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 352 | S | 35 | Very low | 33.3 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | 69.6 | 122.9 | 147.5 | 54.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 353 | G | 28.2 | Very low | 33.3 | Very low | 81 Ų | 81 | 140.2 Ų | 140.2 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -177.7 | 125.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 354 | F | 33.9 | Very low | 33.4 | Very low | 211 Ų | 211 | 141 Ų | 141 | 93% | 0.925 | 81% | 0.806 | S | S | * | * | trans | -125 | 124.5 | -169.7 | -144 | -79.1 | 0 | 0 | 0 | 111.4 | ||||
| 355 | S | 31.4 | Very low | 33.4 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | 177 | 139.3 | 161.7 | -77.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 356 | G | 30.3 | Very low | 33.3 | Very low | 65 Ų | 65 | 140.8 Ų | 140.8 | 67% | 0.67 | 81% | 0.808 | S | S | * | * | cis | 122.9 | 99.4 | 5.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 357 | F | 31.1 | Very low | 33.2 | Very low | 218 Ų | 218 | 139.6 Ų | 139.6 | 96% | 0.956 | 81% | 0.812 | S | S | * | * | trans | -151.6 | 165.2 | 176.6 | -120.7 | -84.4 | 0 | 0 | 0 | 113.8 | ||||
| 358 | Q | 34 | Very low | 33.1 | Very low | 183 Ų | 183 | 134.6 Ų | 134.6 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | -108.4 | 177.1 | -164.5 | -82.7 | -176.4 | -26.6 | 0 | 0 | 115.9 | ||||
| 359 | H | 37.3 | Very low | 33 | Very low | 152 Ų | 152 | 131.8 Ų | 131.8 | 70% | 0.704 | 81% | 0.807 | S | S | * | * | trans | -50.2 | 158.9 | 170.8 | -132.1 | -26.2 | 0 | 0 | 0 | 114.5 | ||||
| 360 | P | 43.6 | Very low | 33 | Very low | 119 Ų | 119 | 132.5 Ų | 132.5 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | -137.8 | -177.6 | 120.5 | 39 | -28.9 | 0 | 0 | 0 | 114.1 | |||||
| 361 | Q | 36.7 | Very low | 33.2 | Very low | 142 Ų | 142 | 131.6 Ų | 131.6 | 66% | 0.664 | 82% | 0.817 | S | S | * | * | trans | -131.9 | 147.6 | -178 | -80.6 | -81.9 | -7.5 | 0 | 0 | 111.8 | ||||
| 362 | T | 37.2 | Very low | 33.1 | Very low | 114 Ų | 114 | 130.8 Ų | 130.8 | 70% | 0.699 | 82% | 0.816 | S | S | * | * | trans | 43.9 | 129.1 | 154.6 | 57.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 363 | L | 33.1 | Very low | 33.2 | Very low | 161 Ų | 161 | 132.8 Ų | 132.8 | 84% | 0.843 | 82% | 0.817 | S | S | * | * | -172 | 148.7 | 103.9 | -98.3 | 165.8 | 0 | 0 | 0 | 114.6 | |||||
| 364 | S | 32.7 | Very low | 34.7 | Very low | 110 Ų | 110 | 134.1 Ų | 134.1 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -0.8 | 137.7 | 164.3 | -50.4 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 365 | A | 32 | Very low | 35.1 | Very low | 105 Ų | 105 | 132.1 Ų | 132.1 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | -169.5 | 156.2 | 122.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 366 | M | 31.4 | Very low | 36.3 | Very low | 188 Ų | 188 | 130.8 Ų | 130.8 | 93% | 0.926 | 79% | 0.792 | S | S | * | * | trans | -61.8 | 159.4 | -171.9 | -61.6 | -128.7 | 64 | 0 | 0 | 118.7 | ||||
| 367 | G | 29.9 | Very low | 36.7 | Very low | 77 Ų | 77 | 135.2 Ų | 135.2 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -171.1 | 106.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 368 | T | 31.5 | Very low | 36.9 | Very low | 148 Ų | 148 | 133.5 Ų | 133.5 | 91% | 0.908 | 79% | 0.793 | S | S | * | * | trans | -64.1 | 157.5 | 179.1 | 47.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 369 | G | 29.8 | Very low | 36.8 | Very low | 71 Ų | 71 | 128.3 Ų | 128.3 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | cis | 172.8 | -175.2 | 1.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 370 | T | 31.7 | Very low | 36.6 | Very low | 149 Ų | 149 | 127 Ų | 127 | 91% | 0.914 | 80% | 0.797 | S | S | * | * | trans | -131.9 | 152.5 | -179.5 | 47.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 371 | A | 33.2 | Very low | 36.1 | Very low | 106 Ų | 106 | 129.2 Ų | 129.2 | 88% | 0.876 | 80% | 0.802 | S | S | * | * | trans | -85.7 | 163 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 372 | S | 30.8 | Very low | 37.1 | Very low | 104 Ų | 104 | 127.8 Ų | 127.8 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -153.7 | 137.6 | -174.5 | 53 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 373 | L | 38.6 | Very low | 38.4 | Very low | 162 Ų | 162 | 126.9 Ų | 126.9 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | 69 | 169.3 | 145.1 | -68.2 | 173.6 | 0 | 0 | 0 | 118.2 | ||||
| 374 | P | 57.8 | Low | 38.6 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | cis | -127.4 | -162.4 | 12.6 | 44.1 | -24.7 | 0 | 0 | 0 | 113.8 | ||||
| 375 | H | 42.3 | Very low | 38.6 | Very low | 169 Ų | 169 | 129.7 Ų | 129.7 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | cis | -137.7 | -109.7 | 9 | -147.8 | -1.4 | 0 | 0 | 0 | 117.9 | ||||
| 376 | P | 58.5 | Low | 38.9 | Very low | 96 Ų | 96 | 136 Ų | 136 | 62% | 0.623 | 80% | 0.803 | S | S | * | * | trans | -139.9 | -169.6 | -135.5 | 37.7 | -12.2 | 0 | 0 | 0 | 120.3 | ||||
| 377 | I | 36.7 | Very low | 39.1 | Very low | 157 Ų | 157 | 135.9 Ų | 135.9 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | trans | 96 | 137.2 | 163.5 | -52.5 | 173.7 | 0 | 0 | 0 | 116.7 | ||||
| 378 | Q | 36.3 | Very low | 39.2 | Very low | 182 Ų | 182 | 135.1 Ų | 135.1 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | cis | -171.5 | 134.1 | -39.7 | 179 | 167.1 | -16.9 | 0 | 0 | 111.7 | ||||
| 379 | G | 32.2 | Very low | 39.4 | Very low | 74 Ų | 74 | 136.7 Ų | 136.7 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | trans | 81.9 | 157 | 162.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 380 | S | 33.7 | Very low | 41 | Very low | 124 Ų | 124 | 138.2 Ų | 138.2 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | cis | -157.5 | 170.5 | -11 | 54.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 381 | L | 32.6 | Very low | 41.2 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -122.6 | -168.6 | -169.1 | -83.4 | 170.5 | 0 | 0 | 0 | 110.8 | ||||
| 382 | P | 58.2 | Low | 41.4 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | cis | -135.7 | -130.3 | -27.2 | 26.6 | 0.2 | 0 | 0 | 0 | 112.2 | ||||
| 383 | P | 63.8 | Low | 42.7 | Very low | 94 Ų | 94 | 140.5 Ų | 140.5 | 61% | 0.61 | 79% | 0.788 | S | S | * | * | -128.1 | -174.7 | -62.6 | 24.9 | -2.2 | 0 | 0 | 0 | 117.8 | |||||
| 384 | Y | 37.8 | Very low | 42.5 | Very low | 216 Ų | 216 | 139.1 Ų | 139.1 | 85% | 0.847 | 79% | 0.792 | S | S | * | * | trans | 89.6 | 147.7 | 156.2 | -69.2 | -64.2 | 0 | 0 | 0 | 119.8 | ||||
| 385 | S | 32.6 | Very low | 41.5 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | cis | -149.4 | -178.9 | 10.5 | -143.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 386 | R | 38 | Very low | 41.4 | Very low | 238 Ų | 238 | 139.3 Ų | 139.3 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | trans | -119.2 | 158.9 | -178.5 | -80.4 | -176.2 | 170.2 | -166 | -0.4 | 114.1 | ||||
| 387 | L | 36.1 | Very low | 40.3 | Very low | 186 Ų | 186 | 139.5 Ų | 139.5 | 97% | 0.974 | 82% | 0.815 | S | S | * | * | trans | -166.3 | 179.9 | 148.3 | -126.5 | 65 | 0 | 0 | 0 | 109.7 | ||||
| 388 | G | 31.6 | Very low | 40.1 | Very low | 60 Ų | 60 | 135.9 Ų | 135.9 | 62% | 0.619 | 82% | 0.816 | S | S | * | * | cis | -169.2 | -11.5 | 1.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 389 | M | 35.9 | Very low | 40.1 | Very low | 181 Ų | 181 | 133.2 Ų | 133.2 | 89% | 0.892 | 81% | 0.812 | S | S | * | * | trans | 73.5 | -158.8 | 174.8 | -58.9 | -83.2 | -77.3 | 0 | 0 | 116.3 | ||||
| 390 | P | 63.2 | Low | 40.3 | Very low | 103 Ų | 103 | 138.1 Ų | 138.1 | 67% | 0.669 | 82% | 0.818 | S | S | * | * | -133.9 | -172 | -111 | 43.2 | -23.4 | 0 | 0 | 0 | 116.1 | |||||
| 391 | L | 35.3 | Very low | 40.4 | Very low | 162 Ų | 162 | 141.6 Ų | 141.6 | 85% | 0.848 | 82% | 0.82 | S | S | * | * | trans | -179.5 | -176.9 | 135.7 | -99.7 | 168.3 | 0 | 0 | 0 | 114.1 | ||||
| 392 | T | 36.6 | Very low | 40.5 | Very low | 127 Ų | 127 | 137.4 Ų | 137.4 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | trans | -122.4 | -149.9 | -158 | 59.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 393 | P | 59.2 | Low | 39.4 | Very low | 118 Ų | 118 | 138 Ų | 138 | 77% | 0.766 | 83% | 0.825 | S | S | * | * | -119.9 | -179.2 | -129.8 | 37.6 | -16.2 | 0 | 0 | 0 | 116 | |||||
| 394 | S | 34.4 | Very low | 37.9 | Very low | 133 Ų | 133 | 137 Ų | 137 | 93% | 0.93 | 83% | 0.832 | S | S | * | * | trans | -139.5 | 150.7 | 167.8 | -82.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 395 | A | 37 | Very low | 38.2 | Very low | 97 Ų | 97 | 132.8 Ų | 132.8 | 80% | 0.802 | 83% | 0.83 | S | S | * | * | trans | -135 | 147.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 396 | L | 38.7 | Very low | 38.5 | Very low | 184 Ų | 184 | 132.9 Ų | 132.9 | 96% | 0.963 | 83% | 0.831 | S | S | * | * | trans | -137.8 | 147.3 | 164.9 | -84.8 | 175.7 | 0 | 0 | 0 | 109.5 | ||||
| 397 | A | 35.4 | Very low | 38.4 | Very low | 100 Ų | 100 | 131 Ų | 131 | 83% | 0.826 | 83% | 0.83 | S | S | * | * | trans | -100.2 | 152.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 398 | G | 34.2 | Very low | 38.6 | Very low | 81 Ų | 81 | 126.7 Ų | 126.7 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | -139.7 | 109.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 399 | T | 36.5 | Very low | 38.7 | Very low | 126 Ų | 126 | 129.8 Ų | 129.8 | 77% | 0.773 | 83% | 0.825 | S | S | * | * | trans | -96.1 | 132.7 | 177.4 | 38.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 400 | M | 35.4 | Very low | 38.6 | Very low | 177 Ų | 177 | 130 Ų | 130 | 87% | 0.872 | 82% | 0.821 | S | S | * | * | trans | -153.4 | 158.9 | 155.3 | -94.7 | -53.7 | 104.3 | 0 | 0 | 110.1 | ||||
| 401 | Q | 36.9 | Very low | 37.3 | Very low | 197 Ų | 197 | 133.1 Ų | 133.1 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | trans | -94.6 | 147.3 | -171.7 | -64.6 | 166.4 | -32.2 | 0 | 0 | 111.8 | ||||
| 402 | G | 33.6 | Very low | 37.4 | Very low | 80 Ų | 80 | 133.1 Ų | 133.1 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | -163.5 | 125.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 403 | S | 35.4 | Very low | 37.6 | Very low | 125 Ų | 125 | 131.9 Ų | 131.9 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -92.7 | 110.2 | -162.1 | 52.6 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 404 | G | 32.4 | Very low | 36.5 | Very low | 73 Ų | 73 | 137.4 Ų | 137.4 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | trans | 61.6 | -172.3 | 150.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 405 | P | 43.5 | Very low | 36.3 | Very low | 126 Ų | 126 | 141 Ų | 141 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | cis | -104.6 | 174.4 | -10.5 | 39.7 | -31.5 | 0 | 0 | 0 | 113.3 | ||||
| 406 | S | 38.3 | Very low | 36.1 | Very low | 117 Ų | 117 | 143.9 Ų | 143.9 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 143 | 179.9 | 47.7 | 0 | 0 | 0 | 0 | 113.9 | ||
| 407 | F | 37.3 | Very low | 35.9 | Very low | 197 Ų | 197 | 142.9 Ų | 142.9 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 142.5 | 166.5 | -75.6 | -87.5 | 0 | 0 | 0 | 111.2 | ||
| 408 | P | 38.8 | Very low | 35.9 | Very low | 96 Ų | 96 | 146.8 Ų | 146.8 | 62% | 0.623 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 122.2 | 179.9 | 31.7 | -33.5 | 0 | 0 | 0 | 112.8 | F410 | P408-F410 HydrophobicContact CB-CD2 4.46Å; P408-F410 HydrophobicContact CB-CE2 4.16Å; P408-F410 HydrophobicContact CG-CD2 4.38Å; P408-F410 HydrophobicContact CG-CE2 3.91Å; P408-F410 PolarHBondContact O-N 3.16Å |
| 409 | S | 35.3 | Very low | 35.8 | Very low | 125 Ų | 125 | 153.1 Ų | 153.1 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -74.3 | 105.5 | 165.9 | -71.5 | 0 | 0 | 0 | 0 | 110.7 | H411 | S409-H411 PolarHBondContact O-N 3.27Å; S409-H411 VanDerWaalsContact O-N 3.16Å | ||
| 410 | F | 32.2 | Very low | 35.7 | Very low | 185 Ų | 185 | 154.2 Ų | 154.2 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | -77.8 | 97.7 | 172.5 | -84.3 | -82.9 | 0 | 0 | 0 | 111.7 | P408 | P408-F410 HydrophobicContact CB-CD2 4.46Å; P408-F410 HydrophobicContact CB-CE2 4.16Å; P408-F410 HydrophobicContact CG-CD2 4.38Å; P408-F410 HydrophobicContact CG-CE2 3.91Å; P408-F410 PolarHBondContact O-N 3.16Å | ||
| 411 | H | 36.7 | Very low | 35.7 | Very low | 169 Ų | 169 | 154.1 Ų | 154.1 | 78% | 0.782 | 80% | 0.799 | S | S | * | * | trans | -91.8 | 122.7 | 160.5 | 176.7 | 81.3 | 0 | 0 | 0 | 109.6 | S409 | S409-H411 PolarHBondContact O-N 3.27Å; S409-H411 VanDerWaalsContact O-N 3.16Å | ||
| 412 | M | 38.2 | Very low | 35.3 | Very low | 162 Ų | 162 | 148 Ų | 148 | 80% | 0.798 | 79% | 0.788 | S | S | * | * | trans | -147.2 | 161.9 | 171.7 | -98.6 | -154.2 | 120 | 0 | 0 | 111.4 | ||||
| 413 | P | 39.1 | Very low | 35.6 | Very low | 102 Ų | 102 | 149.9 Ų | 149.9 | 66% | 0.662 | 79% | 0.786 | S | S | * | * | -109.2 | 174.9 | -127.5 | 39.7 | -37.4 | 0 | 0 | 0 | 115.6 | |||||
| 414 | R | 37.1 | Very low | 35.8 | Very low | 233 Ų | 233 | 155.4 Ų | 155.4 | 88% | 0.879 | 79% | 0.789 | S | S | * | * | trans | -117.7 | 103.6 | -170.6 | -172.8 | -172.9 | -162.3 | 170.4 | 6 | 112.1 | ||||
| 415 | Y | 31.1 | Very low | 36.1 | Very low | 210 Ų | 210 | 156.5 Ų | 156.5 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | trans | -137.2 | 115.2 | 162.8 | -89.5 | -91.7 | 0 | 0 | 0 | 108.2 | ||||
| 416 | H | 32.6 | Very low | 35.7 | Very low | 156 Ų | 156 | 155.1 Ų | 155.1 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | 58.7 | 115 | 99.6 | -74.3 | -81.8 | 0 | 0 | 0 | 112.6 | |||||
| 417 | H | 33.1 | Very low | 35.9 | Very low | 163 Ų | 163 | 157.7 Ų | 157.7 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | -160.3 | -168.8 | 63.7 | -139 | 70.3 | 0 | 0 | 0 | 114.6 | |||||
| 418 | Y | 36.1 | Very low | 35.7 | Very low | 182 Ų | 182 | 158.1 Ų | 158.1 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | trans | -54.3 | 148.3 | -179.3 | -82.3 | -112.3 | 0 | 0 | 0 | 115.3 | ||||
| 419 | F | 31.4 | Very low | 35.3 | Very low | 215 Ų | 215 | 157.1 Ų | 157.1 | 94% | 0.943 | 81% | 0.805 | S | S | * | * | trans | -136.7 | 119.1 | 145.2 | -117.7 | -85.5 | 0 | 0 | 0 | 109.9 | ||||
| 420 | Q | 35.3 | Very low | 35.1 | Very low | 149 Ų | 149 | 159.6 Ų | 159.6 | 70% | 0.696 | 81% | 0.808 | S | S | * | * | trans | -140.5 | 145.8 | 175 | -161.2 | -174.1 | 20.1 | 0 | 0 | 108.3 | ||||
| 421 | Q | 34.6 | Very low | 35.3 | Very low | 175 Ų | 175 | 161.4 Ų | 161.4 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | 75.3 | 148.1 | 174.8 | -47.1 | -167.4 | 17.6 | 0 | 0 | 118.3 | ||||
| 422 | G | 29.8 | Very low | 35.2 | Very low | 68 Ų | 68 | 161 Ų | 161 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | 154.6 | 134.4 | 174 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 423 | P | 39.6 | Very low | 35 | Very low | 119 Ų | 119 | 159.1 Ų | 159.1 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | S | Bend | cis | -139.9 | 97 | -16.1 | 35.2 | -14.3 | 0 | 0 | 0 | 113 | ||
| 424 | Y | 39.8 | Very low | 34.7 | Very low | 241 Ų | 241 | 159.3 Ų | 159.3 | 95% | 0.945 | 81% | 0.814 | S | S | * | * | trans | -161.3 | 69.7 | 168.8 | -112.8 | -67.3 | 0 | 0 | 0 | 113.8 | ||||
| 425 | A | 39 | Very low | 34.7 | Very low | 97 Ų | 97 | 154.9 Ų | 154.9 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | trans | -162.2 | 79.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 426 | A | 34.5 | Very low | 35 | Very low | 97 Ų | 97 | 151.2 Ų | 151.2 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | trans | -164.3 | 52.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 427 | I | 41.5 | Very low | 34.9 | Very low | 171 Ų | 171 | 152.5 Ų | 152.5 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | trans | -137 | 81.9 | 161.6 | -51.6 | -179.6 | 0 | 0 | 0 | 110.7 | ||||
| 428 | Q | 33.3 | Very low | 35.1 | Very low | 205 Ų | 205 | 150.5 Ų | 150.5 | 96% | 0.958 | 82% | 0.82 | S | S | * | * | trans | -168.9 | 139.9 | 155.1 | -109.4 | 173.6 | 31 | 0 | 0 | 108.4 | ||||
| 429 | G | 30.6 | Very low | 35.9 | Very low | 75 Ų | 75 | 147.6 Ų | 147.6 | 77% | 0.773 | 82% | 0.823 | S | S | * | * | trans | 121.5 | 55.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 430 | L | 31.7 | Very low | 36.2 | Very low | 178 Ų | 178 | 146.4 Ų | 146.4 | 93% | 0.932 | 82% | 0.818 | S | S | * | * | trans | -152.5 | 103.5 | 151.7 | -111.6 | 167.3 | 0 | 0 | 0 | 109.2 | ||||
| 431 | R | 35.4 | Very low | 36.4 | Very low | 223 Ų | 223 | 149.2 Ų | 149.2 | 84% | 0.842 | 85% | 0.845 | S | S | * | * | trans | -125.4 | 119 | 172.4 | -96.9 | -168.3 | 173.3 | -168.2 | 0.1 | 108.7 | ||||
| 432 | H | 34.5 | Very low | 36.5 | Very low | 159 Ų | 159 | 148 Ų | 148 | 74% | 0.736 | 85% | 0.847 | S | S | * | * | trans | 49.8 | 110.2 | 155.2 | -50.1 | 92.3 | 0 | 0 | 0 | 118.8 | ||||
| 433 | S | 34.9 | Very low | 36.9 | Very low | 124 Ų | 124 | 152.2 Ų | 152.2 | 87% | 0.867 | 85% | 0.854 | S | S | * | * | trans | -117.3 | 127.3 | 133.4 | 52.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 434 | S | 32.7 | Very low | 36.7 | Very low | 105 Ų | 105 | 154 Ų | 154 | 73% | 0.734 | 86% | 0.859 | S | S | * | * | trans | -107.5 | 118.8 | -176.2 | -58.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 435 | T | 38.3 | Very low | 36.6 | Very low | 140 Ų | 140 | 148.9 Ų | 148.9 | 86% | 0.859 | 85% | 0.854 | S | S | * | * | trans | -135.3 | 135.1 | 165 | -53.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 436 | V | 36.3 | Very low | 36.4 | Very low | 133 Ų | 133 | 152.1 Ų | 152.1 | 81% | 0.806 | 86% | 0.857 | S | S | * | * | trans | -104.1 | 132.6 | -176.2 | 171.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 437 | M | 29.7 | Very low | 36.5 | Very low | 184 Ų | 184 | 155.8 Ų | 155.8 | 91% | 0.906 | 86% | 0.861 | S | S | * | * | trans | -170 | 131.9 | 133.7 | -109.6 | 176.1 | 177.3 | 0 | 0 | 112.4 | ||||
| 438 | T | 37.8 | Very low | 36.2 | Very low | 121 Ų | 121 | 154.7 Ų | 154.7 | 74% | 0.742 | 86% | 0.86 | S | S | * | * | trans | -87.7 | 164.6 | 153.6 | 51.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 439 | P | 54.1 | Low | 36.4 | Very low | 120 Ų | 120 | 150.8 Ų | 150.8 | 78% | 0.779 | 85% | 0.852 | S | S | * | * | -141.6 | 179.8 | 95.9 | 39.1 | -25.7 | 0 | 0 | 0 | 114.7 | |||||
| 440 | F | 36.4 | Very low | 36.9 | Very low | 191 Ų | 191 | 157.2 Ų | 157.2 | 84% | 0.838 | 86% | 0.859 | S | S | * | * | trans | -46.3 | 159.3 | 159.4 | -65.3 | -99.8 | 0 | 0 | 0 | 112.1 | ||||
| 441 | V | 41 | Very low | 37.4 | Very low | 208 Ų | 208 | 155.3 Ų | 155.3 | 100% | 1.261 | 85% | 0.852 | S | S | * | * | cis | -130 | 0 | 30.2 | 178.3 | 0 | 0 | 0 | 0 | 112.1 |
Retrieved 441 of 441 residues in 761.4 ms
(Link to these results)